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

Systemtic Name: (E)-4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-11(2)13-4-6-14(7-5-13)18-12(3)25-19(15(18)10-20)21-16(22)8-9-17(23)24/h4-9,11H,1-3H3,(H,21,22)(H,23,24)/b9-8+