[4-[(E)-3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-6-yl]sulfonylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-nitrooxybutanoate

Systemtic Name: [4-[(E)-3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-6-yl]sulfonylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-nitrooxybutanoate Openeye Name: [4-[(E)-3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [4-[(E)-3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [4-[(E)-3-[[(4R)-4-(ethylamino)-1,1-diketo-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H34N4O12S3 MolecularWeight: 690.76276

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NC(=O)C=CC3=CC(=C(C=C3)OC(=O)CCCO[N+](=O)[O-])OC)CCCOC

Isomeric SMILES

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NC(=O)/C=C/C3=CC(=C(C=C3)OC(=O)CCCO[N+](=O)[O-])OC)CCCOC

InChI

InChI=1S/C26H34N4O12S3/c1-4-27-20-17-29(12-6-13-39-2)45(37,38)26-19(20)16-25(43-26)44(35,36)28-23(31)11-9-18-8-10-21(22(15-18)40-3)42-24(32)7-5-14-41-30(33)34/h8-11,15-16,20,27H,4-7,12-14,17H2,1-3H3,(H,28,31)/b11-9+/t20-/m0/s1