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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-10-17-13(9-21-10)6-7-14(18)16-8-11-2-4-12(5-3-11)15(19)20/h2-7,9H,8H2,1H3,(H,16,18)(H,19,20)/b7-6+