2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino]-2-keto-ethyl]thio]acetate Formula: C18H17N2O3S2- MolecularWeight: 373.46918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CSCC(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CSCC(=O)[O-])C

InChI

InChI=1S/C18H18N2O3S2/c1-3-12-4-6-13(7-5-12)17-11(2)25-18(14(17)8-19)20-15(21)9-24-10-16(22)23/h4-7H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)/p-1