5-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylcarbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylcarbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylcarbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-3-[[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylcarbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethylcarbamoylamino]-2-thenoic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O4S/c1-28-16-8-2-13(3-9-16)10-11-23-21(27)24-17-12-18(29-19(17)20(25)26)14-4-6-15(22)7-5-14/h2-9,12H,10-11H2,1H3,(H,25,26)(H2,23,24,27)