[4-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-6-yl]sulfonylcarbamoyl]phenyl]methyl nitrate

Systemtic Name: [4-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-6-yl]sulfonylcarbamoyl]phenyl]methyl nitrate Openeye Name: [4-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylcarbamoyl]phenyl]methyl nitrate CAS Name: nitric acid [4-[[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylamino]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylcarbamoyl]phenyl]methyl nitrate Traditional Name: nitric acid [4-[[(4R)-4-(ethylamino)-1,1-diketo-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonylcarbamoyl]benzyl] ester Formula: C20H26N4O9S3 MolecularWeight: 562.63684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O9S3/c1-3-21-17-12-23(9-4-10-32-2)36(30,31)20-16(17)11-18(34-20)35(28,29)22-19(25)15-7-5-14(6-8-15)13-33-24(26)27/h5-8,11,17,21H,3-4,9-10,12-13H2,1-2H3,(H,22,25)/t17-/m0/s1