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

Systemtic Name: ethyl 4-[(2-thiophen-2-ylazepan-1-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(2-thienyl)azepane-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(2-thiophen-2-yl-1-azepanyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-thiophen-2-ylazepane-1-carbonyl)amino]benzoate Traditional Name: 4-[[2-(2-thienyl)azepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-2-25-19(23)15-9-11-16(12-10-15)21-20(24)22-13-5-3-4-7-17(22)18-8-6-14-26-18/h6,8-12,14,17H,2-5,7,13H2,1H3,(H,21,24)