(2-oxidanylideneazepan-3-yl) 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (2-oxoazepan-3-yl) 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid (2-ketoazepan-3-yl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c21-16-14(4-1-2-10-19-16)24-18(23)12-6-8-13(9-7-12)20-17(22)15-5-3-11-25-15/h3,5-9,11,14H,1-2,4,10H2,(H,19,21)(H,20,22)