[4-[ethyl-[(4R)-2-(3-methoxypropyl)-6-[[4-(nitrooxymethyl)phenyl]carbonylsulfamoyl]-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-4-yl]carbamoyl]phenyl]methyl nitrate

Systemtic Name: [4-[ethyl-[(4R)-2-(3-methoxypropyl)-6-[[4-(nitrooxymethyl)phenyl]carbonylsulfamoyl]-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazin-4-yl]carbamoyl]phenyl]methyl nitrate Openeye Name: [4-[ethyl-[(4R)-2-(3-methoxypropyl)-6-[[4-(nitrooxymethyl)benzoyl]sulfamoyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]carbamoyl]phenyl]methyl nitrate CAS Name: nitric acid [4-[[ethyl-[(4R)-2-(3-methoxypropyl)-6-[[[4-(nitrooxymethyl)phenyl]-oxomethyl]sulfamoyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[ethyl-[(4R)-2-(3-methoxypropyl)-6-[[4-(nitrooxymethyl)benzoyl]sulfamoyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-yl]carbamoyl]phenyl]methyl nitrate Traditional Name: nitric acid [4-[[(4R)-1,1-diketo-2-(3-methoxypropyl)-6-[[4-(nitrooxymethyl)benzoyl]sulfamoyl]-3,4-dihydrothieno[3,2-e]thiazin-4-yl]-ethyl-carbamoyl]benzyl] ester Formula: C28H31N5O13S3 MolecularWeight: 741.76644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-])CCCOC)C(=O)C4=CC=C(C=C4)CO[N+](=O)[O-]

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)C(=O)C4=CC=C(C=C4)CO[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O13S3/c1-3-31(27(35)22-11-7-20(8-12-22)18-46-33(38)39)24-16-30(13-4-14-44-2)49(42,43)28-23(24)15-25(47-28)48(40,41)29-26(34)21-9-5-19(6-10-21)17-45-32(36)37/h5-12,15,24H,3-4,13-14,16-18H2,1-2H3,(H,29,34)/t24-/m0/s1