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

Systemtic Name: 4-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[5-[anilino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[[3-carbethoxy-4-methyl-5-(phenylcarbamoyl)-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C=CC(=O)O

InChI

InChI=1S/C19H18N2O6S/c1-3-27-19(26)15-11(2)16(17(25)20-12-7-5-4-6-8-12)28-18(15)21-13(22)9-10-14(23)24/h4-10H,3H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)