methyl 5-azanyl-1-oxidanylidene-[1,3]thiazolo[3,2-a][1,5]benzodiazepine-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-oxidanylidene-[1,3]thiazolo[3,2-a][1,5]benzodiazepine-4-carboxylate Openeye Name: methyl 5-amino-1-oxo-thiazolo[3,2-a][1,5]benzodiazepine-4-carboxylate CAS Name: 5-amino-1-oxo-4-thiazolo[3,2-a][1,5]benzodiazepinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-oxo-[1,3]thiazolo[3,2-a][1,5]benzodiazepine-4-carboxylate Traditional Name: 5-amino-1-keto-thiazolo[3,2-a][1,5]benzodiazepine-4-carboxylic acid methyl ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2N(C(=O)CS2)C3=CC=CC=C3N=C1N

Isomeric SMILES

COC(=O)C1=C2N(C(=O)CS2)C3=CC=CC=C3N=C1N

InChI

InChI=1S/C13H11N3O3S/c1-19-13(18)10-11(14)15-7-4-2-3-5-8(7)16-9(17)6-20-12(10)16/h2-5H,6H2,1H3,(H2,14,15)