4-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbethoxy-4-(2,4-dimethylphenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-4-25-19(24)17-14(13-6-5-11(2)9-12(13)3)10-26-18(17)20-15(21)7-8-16(22)23/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,21)(H,22,23)