ethyl 2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C23H25N3O3S/c1-3-15-20(23(28)29-4-2)21(25-17-11-7-6-10-16(17)24-15)26-22(27)19-13-14-9-5-8-12-18(14)30-19/h6-7,10-11,13,24H,3-5,8-9,12H2,1-2H3,(H,25,26,27)