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

Systemtic Name: (4R)-3-ethanoyl-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-mercapto-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-2-methyl-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-mercapto-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-8-13(9(2)19)14(11(7-16)15(22)17-8)10-5-3-4-6-12(10)18(20)21/h3-6,13-14,22H,1-2H3/t13?,14-/m1/s1