(4S)-5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-5-cyano-2-methyl-N-(o-tolyl)-6-phenacylsulfanyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-5-cyano-2-methyl-N-(2-methylphenyl)-6-(phenacylthio)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-5-cyano-2-methyl-N-(o-tolyl)-6-(phenacylthio)-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(N=C2C)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2[C@@H](C(=C(N=C2C)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C27H23N3O2S2/c1-17-9-6-7-12-21(17)30-26(32)24-18(2)29-27(20(15-28)25(24)23-13-8-14-33-23)34-16-22(31)19-10-4-3-5-11-19/h3-14,24-25H,16H2,1-2H3,(H,30,32)/t24?,25-/m0/s1