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

Systemtic Name: 2-[2-[[3-(4-cyanophenyl)carbonyl-5-ethyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[3-(4-cyanobenzoyl)-5-ethyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[3-[(4-cyanophenyl)-oxomethyl]-5-ethyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[3-(4-cyanobenzoyl)-5-ethylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[3-(4-cyanobenzoyl)-5-ethyl-2-thienyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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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)C#N

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC(=O)O)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H16N2O4S2/c1-2-13-7-14(17(24)12-5-3-11(8-19)4-6-12)18(26-13)20-15(21)9-25-10-16(22)23/h3-7H,2,9-10H2,1H3,(H,20,21)(H,22,23)