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

Systemtic Name: 2-[2-[[5-ethyl-3-(4-phenoxyphenyl)carbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[5-ethyl-3-(4-phenoxybenzoyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[5-ethyl-3-[oxo-(4-phenoxyphenyl)methyl]-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[5-ethyl-3-(4-phenoxybenzoyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[5-ethyl-3-(4-phenoxybenzoyl)-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO5S2/c1-2-18-12-19(23(31-18)24-20(25)13-30-14-21(26)27)22(28)15-8-10-17(11-9-15)29-16-6-4-3-5-7-16/h3-12H,2,13-14H2,1H3,(H,24,25)(H,26,27)