methyl 4-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[2-(2-thienyl)azepane-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(2-thiophen-2-yl-1-azepanyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-thiophen-2-ylazepane-1-carbonyl)amino]benzoate Traditional Name: 4-[[2-(2-thienyl)azepane-1-carbonyl]amino]benzoic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCCC2C3=CC=CS3

InChI

InChI=1S/C19H22N2O3S/c1-24-18(22)14-8-10-15(11-9-14)20-19(23)21-12-4-2-3-6-16(21)17-7-5-13-25-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,20,23)