2-[[[3-ethoxycarbonyl-5-(4-methoxyphenyl)-4-methyl-thiophen-2-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[3-ethoxycarbonyl-5-(4-methoxyphenyl)-4-methyl-thiophen-2-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[3-ethoxycarbonyl-5-(4-methoxyphenyl)-4-methyl-2-thienyl]amino]methylene]propanedioic acid CAS Name: 2-[[[3-ethoxycarbonyl-5-(4-methoxyphenyl)-4-methyl-2-thiophenyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[3-ethoxycarbonyl-5-(4-methoxyphenyl)-4-methylthiophen-2-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[3-carbethoxy-5-(4-methoxyphenyl)-4-methyl-2-thienyl]amino]methylene]malonic acid Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-4-27-19(25)14-10(2)15(11-5-7-12(26-3)8-6-11)28-16(14)20-9-13(17(21)22)18(23)24/h5-9,20H,4H2,1-3H3,(H,21,22)(H,23,24)