3-[2-[[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 3-[2-[[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 3-[2-[[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 3-[[2-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 3-[2-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 3-[[2-[(5-ethyl-3-p-anisoyl-2-thienyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=CC=CC(=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=CC=CC(=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H21NO5S2/c1-3-17-12-19(21(26)14-7-9-16(29-2)10-8-14)22(31-17)24-20(25)13-30-18-6-4-5-15(11-18)23(27)28/h4-12H,3,13H2,1-2H3,(H,24,25)(H,27,28)