(E)-4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H14N2O4S/c1-10-16(11-3-5-12(23-2)6-4-11)13(9-18)17(24-10)19-14(20)7-8-15(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22)/b8-7+