O2-[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino] O4-ethyl 3-tert-butyl-5-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino] O4-ethyl 3-tert-butyl-5-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-[[4-(2-cyanophenyl)phenyl]methyl-propanoyl-amino] O4-ethyl 3-tert-butyl-5-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-tert-butyl-5-methylthiophene-2,4-dicarboxylic acid O2-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopropyl)amino] ester O4-ethyl ester IUPAC Name: 2-O-[[4-(2-cyanophenyl)phenyl]methyl-propanoylamino] 4-O-ethyl 3-tert-butyl-5-methylthiophene-2,4-dicarboxylate Traditional Name: 3-tert-butyl-5-methyl-thiophene-2,4-dicarboxylic acid O2-[[4-(2-cyanophenyl)benzyl]-propionyl-amino] ester O4-ethyl ester Formula: C30H32N2O5S MolecularWeight: 532.65048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)OC(=O)C3=C(C(=C(S3)C)C(=O)OCC)C(C)(C)C

Isomeric SMILES

CCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)OC(=O)C3=C(C(=C(S3)C)C(=O)OCC)C(C)(C)C

InChI

InChI=1S/C30H32N2O5S/c1-7-24(33)32(18-20-13-15-21(16-14-20)23-12-10-9-11-22(23)17-31)37-29(35)27-26(30(4,5)6)25(19(3)38-27)28(34)36-8-2/h9-16H,7-8,18H2,1-6H3