[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C27H22N4O2S2 MolecularWeight: 498.61918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S2/c1-19-9-12-21(13-10-19)28-27-29-22(18-35-27)17-33-25(32)14-11-20-16-31(23-6-3-2-4-7-23)30-26(20)24-8-5-15-34-24/h2-16,18H,17H2,1H3,(H,28,29)