2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethoxy]benzoic acid Formula: C22H18ClNO6S MolecularWeight: 459.89942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H18ClNO6S/c1-2-29-22(28)19-15(13-7-3-5-9-16(13)23)12-31-20(19)24-18(25)11-30-17-10-6-4-8-14(17)21(26)27/h3-10,12H,2,11H2,1H3,(H,24,25)(H,26,27)