ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-cyanophenyl)prop-2-enoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[(E)-3-(4-cyanophenyl)acryloyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H17N3O3S/c1-2-28-21(27)20-19(17-6-4-3-5-7-17)25-22(29-20)24-18(26)13-12-15-8-10-16(14-23)11-9-15/h3-13H,2H2,1H3,(H,24,25,26)/b13-12+