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

Systemtic Name: 2-[[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thienyl)amino]methylene]propanedioic acid CAS Name: 2-[[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thiophenyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(3-carbethoxy-4-methyl-5-phenyl-2-thienyl)amino]methylene]malonic acid Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/c1-3-25-18(24)13-10(2)14(11-7-5-4-6-8-11)26-15(13)19-9-12(16(20)21)17(22)23/h4-9,19H,3H2,1-2H3,(H,20,21)(H,22,23)