ethyl 5-azanyl-4-cyano-3-[3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C28H24N4O4S/c1-3-35-28(34)26-23(22(15-29)27(30)37-26)17-36-24(33)14-13-20-16-32(21-7-5-4-6-8-21)31-25(20)19-11-9-18(2)10-12-19/h4-14,16H,3,17,30H2,1-2H3