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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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