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

Systemtic Name: methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-5-cyano-2-keto-4-p-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H25N3O5S/c1-3-33-18-11-9-17(10-12-18)21-19(13-26)24(28-23(30)22(21)25(31)32-2)34-15-20(29)27-14-16-7-5-4-6-8-16/h4-12,21-22H,3,14-15H2,1-2H3,(H,27,29)(H,28,30)