3-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-2-[(5-ethylthiophen-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methylcarbamoyl]-2-[(5-ethylthiophen-2-yl)carbamoyl]benzoic acid Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methylcarbamoyl]-2-[(5-ethyl-2-thienyl)carbamoyl]benzoic acid CAS Name: 3-[[(3-chloro-4-methoxyphenyl)methylamino]-oxomethyl]-2-[[(5-ethyl-2-thiophenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-2-[(5-ethylthiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 3-[(3-chloro-4-methoxy-benzyl)carbamoyl]-2-[(5-ethyl-2-thienyl)carbamoyl]benzoic acid Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)NC(=O)C2=C(C=CC=C2C(=O)O)C(=O)NCC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCC1=CC=C(S1)NC(=O)C2=C(C=CC=C2C(=O)O)C(=O)NCC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H21ClN2O5S/c1-3-14-8-10-19(32-14)26-22(28)20-15(5-4-6-16(20)23(29)30)21(27)25-12-13-7-9-18(31-2)17(24)11-13/h4-11H,3,12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)