2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]amino]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]amino]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino]-2-keto-ethoxy]acetic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)COCC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)COCC(=O)O)C

InChI

InChI=1S/C18H18N2O4S/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)