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

Systemtic Name: 4-chloranyl-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]benzoic acid Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C14H11ClN2O3S/c1-8-16-10(7-21-8)3-5-13(18)17-12-6-9(15)2-4-11(12)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)/b5-3+