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

Systemtic Name: (4R)-3-ethanoyl-6-ethynylsulfanyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Openeye Name: (4R)-3-acetyl-6-ethynylsulfanyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile CAS Name: (4R)-3-acetyl-6-(ethynylthio)-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (4R)-3-acetyl-6-ethynylsulfanyl-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Traditional Name: (4R)-3-acetyl-6-(ethynylthio)-2-methyl-4-(2-nitrophenyl)-3,4-dihydropyridine-5-carbonitrile Formula: C17H13N3O3S MolecularWeight: 339.36842

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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)SC#C

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3S/c1-4-24-17-13(9-18)16(15(11(3)21)10(2)19-17)12-7-5-6-8-14(12)20(22)23/h1,5-8,15-16H,2-3H3/t15?,16-/m1/s1