4-nitrooxybutyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-6-yl]sulfonyl]carbamate

Systemtic Name: 4-nitrooxybutyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-6-yl]sulfonyl]carbamate Openeye Name: 4-nitrooxybutyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate CAS Name: N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl N-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamate Traditional Name: N-[[(4R)-4-(ethylamino)-1,1-diketo-2-(3-methoxypropyl)-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]carbamic acid 4-nitrooxybutyl ester Formula: C17H28N4O10S3 MolecularWeight: 544.62002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O10S3/c1-3-18-14-12-20(7-6-8-29-2)34(27,28)16-13(14)11-15(32-16)33(25,26)19-17(22)30-9-4-5-10-31-21(23)24/h11,14,18H,3-10,12H2,1-2H3,(H,19,22)/t14-/m0/s1