ethyl 4,5-dimethyl-2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-4-29-23(28)21-17(2)18(3)30-22(21)24-20(27)16-26-12-8-11-25(13-14-26)15-19-9-6-5-7-10-19/h5-7,9-10H,4,8,11-16H2,1-3H3,(H,24,27)