ethyl 2-methyl-4-(2-thiophen-2-ylethanoylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-(2-thiophen-2-ylethanoylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[2-(2-thienyl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[(1-oxo-2-thiophen-2-ylethyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[(2-thiophen-2-ylacetyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-[[2-(2-thienyl)acetyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CC3=CC=CS3)C

InChI

InChI=1S/C19H19N3O3S/c1-3-25-19(24)17-12(2)20-14-8-4-5-9-15(14)21-18(17)22-16(23)11-13-7-6-10-26-13/h4-10,20H,3,11H2,1-2H3,(H,21,22,23)