methyl 5-cyano-2-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-isopropylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-oxo-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-5-cyano-2-keto-4-p-cumenyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H27N3O4S/c1-16(2)18-9-11-19(12-10-18)22-20(13-27)25(29-24(31)23(22)26(32)33-3)34-15-21(30)28-14-17-7-5-4-6-8-17/h4-12,16,22-23H,14-15H2,1-3H3,(H,28,30)(H,29,31)