(4S)-5-ethanoyl-2-ethylsulfanyl-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4S)-5-ethanoyl-2-ethylsulfanyl-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-ethylsulfanyl-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4S)-5-acetyl-2-(ethylthio)-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-ethylsulfanyl-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-(ethylthio)-6-methyl-4-(4-nitrophenyl)-3,4-dihydropyridine-3-carbonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(C1C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CCSC1=NC(=C([C@@H](C1C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C17H17N3O3S/c1-4-24-17-14(9-18)16(15(11(3)21)10(2)19-17)12-5-7-13(8-6-12)20(22)23/h5-8,14,16H,4H2,1-3H3/t14?,16-/m1/s1