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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(C(=N1)C)C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCSC1=C([C@H](C(C(=N1)C)C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C#N

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/h5-8,15-16H,4H2,1-3H3/t15?,16-/m1/s1