methyl 5-cyano-4-(3-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-4-(3-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-cyano-4-(3-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(3-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(3-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(3-isothiocyanatophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)N=C=S)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)N=C=S)C#N

InChI

InChI=1S/C17H15N3O2S/c1-10-14(8-18)16(15(11(2)20-10)17(21)22-3)12-5-4-6-13(7-12)19-9-23/h4-7,16,20H,1-3H3