4-[[5-chloranyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(SC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17ClN2O4S/c22-17-12-16(19(26)23-11-10-13-4-2-1-3-5-13)20(29-17)24-18(25)14-6-8-15(9-7-14)21(27)28/h1-9,12H,10-11H2,(H,23,26)(H,24,25)(H,27,28)