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

Systemtic Name: 2-[4-[[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butyl]sulfanylethanoic acid Openeye Name: 2-[4-[[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino]-4-oxo-butyl]sulfanylacetic acid CAS Name: 2-[[4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutyl]thio]acetic acid IUPAC Name: 2-[4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutyl]sulfanylacetic acid Traditional Name: 2-[[4-[(5-ethyl-3-p-anisoyl-2-thienyl)amino]-4-keto-butyl]thio]acetic acid Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCSCC(=O)O)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCSCC(=O)O)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H23NO5S2/c1-3-15-11-16(19(25)13-6-8-14(26-2)9-7-13)20(28-15)21-17(22)5-4-10-27-12-18(23)24/h6-9,11H,3-5,10,12H2,1-2H3,(H,21,22)(H,23,24)