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

Systemtic Name: (4S)-3-ethanoyl-2-methyl-6-methylsulfanyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4S)-3-acetyl-2-methyl-6-methylsulfanyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4S)-3-acetyl-2-methyl-6-(methylthio)-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4S)-3-acetyl-2-methyl-6-methylsulfanyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4S)-3-acetyl-2-methyl-6-(methylthio)-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C#N)SC

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C#N)SC

InChI

InChI=1S/C16H15N3O3S/c1-9-14(10(2)20)15(13(8-17)16(18-9)23-3)11-4-6-12(7-5-11)19(21)22/h4-7,14-15H,1-3H3/t14?,15-/m0/s1