(2-phenyl-1,3-thiazol-4-yl)methyl 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-cyano-3-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)acrylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H25N3O3S/c1-4-33-26-12-10-25(11-13-26)31-19(2)14-22(20(31)3)15-23(16-29)28(32)34-17-24-18-35-27(30-24)21-8-6-5-7-9-21/h5-15,18H,4,17H2,1-3H3