methyl 4-[[5-chloranyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-3-[(phenylmethyl)carbamoyl]thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(benzylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-chloro-3-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(benzylcarbamoyl)-5-chlorothiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-(benzylcarbamoyl)-5-chloro-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O4S/c1-28-21(27)15-9-7-14(8-10-15)18(25)24-20-16(11-17(22)29-20)19(26)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,26)(H,24,25)