4-aminocarbonyl-8-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-5-ethanoyl-3-methyl-11-oxidanylidene-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfinic acid

Systemtic Name: 4-aminocarbonyl-8-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-5-ethanoyl-3-methyl-11-oxidanylidene-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfinic acid Openeye Name: 5-acetyl-8-[(E)-3-amino-3-oxo-prop-1-enyl]-4-carbamoyl-3-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfinic acid CAS Name: 5-acetyl-8-[(E)-3-amino-3-oxoprop-1-enyl]-4-carbamoyl-3-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfinic acid IUPAC Name: 5-acetyl-8-[(E)-3-amino-3-oxoprop-1-enyl]-4-carbamoyl-3-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfinic acid Traditional Name: 5-acetyl-8-[(E)-3-amino-3-keto-prop-1-enyl]-4-carbamoyl-11-keto-3-methyl-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-6-sulfinic acid Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2C(=O)C)S(=O)O)C=CC(=O)N)C(=O)N

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2C(=O)C)S(=O)O)/C=C/C(=O)N)C(=O)N

InChI

InChI=1S/C19H20N4O6S/c1-9-3-5-12-16(15(9)17(21)26)23(10(2)24)19(30(28)29)13-7-11(4-6-14(20)25)8-22(13)18(12)27/h3-6,8,13,19H,7H2,1-2H3,(H2,20,25)(H2,21,26)(H,28,29)/b6-4+