ethyl 4-[[(E)-2-cyano-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-methylthiazol-4-yl)acryloyl]amino]benzoic acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CSC(=N2)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CSC(=N2)C)/C#N

InChI

InChI=1S/C17H15N3O3S/c1-3-23-17(22)12-4-6-14(7-5-12)20-16(21)13(9-18)8-15-10-24-11(2)19-15/h4-8,10H,3H2,1-2H3,(H,20,21)/b13-8+