[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21ClN2O4S/c21-14-7-8-15(16(12-14)22-19(25)17-6-5-11-28-17)20(26)27-13-18(24)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H,22,25)