(2-oxidanylideneazepan-3-yl) 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-thiophen-2-ylcarbonylbenzoate Openeye Name: (2-oxoazepan-3-yl) 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid (2-ketoazepan-3-yl) ester Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

InChI

InChI=1S/C18H17NO4S/c20-16(15-9-5-11-24-15)12-6-1-2-7-13(12)18(22)23-14-8-3-4-10-19-17(14)21/h1-2,5-7,9,11,14H,3-4,8,10H2,(H,19,21)