ethyl 5-azanyl-4-[[3-[4-(2-cyanophenyl)phenyl]-2-methyl-propanoyl]amino]-2-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-azanyl-4-[[3-[4-(2-cyanophenyl)phenyl]-2-methyl-propanoyl]amino]-2-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-amino-4-[[3-[4-(2-cyanophenyl)phenyl]-2-methyl-propanoyl]amino]-2-methyl-thiophene-3-carboxylate CAS Name: 5-amino-4-[[3-[4-(2-cyanophenyl)phenyl]-2-methyl-1-oxopropyl]amino]-2-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[[3-[4-(2-cyanophenyl)phenyl]-2-methylpropanoyl]amino]-2-methylthiophene-3-carboxylate Traditional Name: 5-amino-4-[[3-[4-(2-cyanophenyl)phenyl]-2-methyl-propanoyl]amino]-2-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1NC(=O)C(C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1NC(=O)C(C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N)N)C

InChI

InChI=1S/C25H25N3O3S/c1-4-31-25(30)21-16(3)32-23(27)22(21)28-24(29)15(2)13-17-9-11-18(12-10-17)20-8-6-5-7-19(20)14-26/h5-12,15H,4,13,27H2,1-3H3,(H,28,29)