3-methyl-4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-methyl-4-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]benzoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CSC(=N2)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CSC(=N2)C

InChI

InChI=1S/C15H14N2O3S/c1-9-7-11(15(19)20)3-5-13(9)17-14(18)6-4-12-8-21-10(2)16-12/h3-8H,1-2H3,(H,17,18)(H,19,20)/b6-4+