(E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(3,4-dimethylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-carbethoxy-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)NC(=O)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)C)C)C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C20H21NO5S/c1-5-26-20(25)18-17(14-7-6-11(2)12(3)10-14)13(4)27-19(18)21-15(22)8-9-16(23)24/h6-10H,5H2,1-4H3,(H,21,22)(H,23,24)/b9-8+