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

Systemtic Name: 2-[[[3-carboxy-5-(4-methoxyphenyl)-4-methyl-thiophen-2-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[3-carboxy-5-(4-methoxyphenyl)-4-methyl-2-thienyl]amino]methylene]propanedioic acid CAS Name: 2-[[[3-carboxy-5-(4-methoxyphenyl)-4-methyl-2-thiophenyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[3-carboxy-5-(4-methoxyphenyl)-4-methylthiophen-2-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[3-carboxy-5-(4-methoxyphenyl)-4-methyl-2-thienyl]amino]methylene]malonic acid Formula: C17H15NO7S MolecularWeight: 377.3685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC=C(C(=O)O)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC=C(C(=O)O)C(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H15NO7S/c1-8-12(17(23)24)14(18-7-11(15(19)20)16(21)22)26-13(8)9-3-5-10(25-2)6-4-9/h3-7,18H,1-2H3,(H,19,20)(H,21,22)(H,23,24)