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

Systemtic Name: 2-[[(E)-2-cyano-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(2-phenylthiazol-4-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-phenyl-4-thiazolyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(2-phenylthiazol-4-yl)acryloyl]amino]benzoic acid Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H13N3O3S/c21-11-14(18(24)23-17-9-5-4-8-16(17)20(25)26)10-15-12-27-19(22-15)13-6-2-1-3-7-13/h1-10,12H,(H,23,24)(H,25,26)/b14-10+