methyl 2-[3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]propanoylamino]benzoic acid methyl ester Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC)N)C#N

InChI

InChI=1S/C27H25N5O3S/c1-16(2)17-8-10-18(11-9-17)24-20(14-28)25(30)32-26(21(24)15-29)36-13-12-23(33)31-22-7-5-4-6-19(22)27(34)35-3/h4-11,16H,12-13H2,1-3H3,(H2,30,32)(H,31,33)