6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-(2-amino-2-oxo-ethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[(2-amino-2-oxoethyl)thio]-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N5O3S2/c1-11-17(19(28)26-21-25-13-5-2-3-7-15(13)31-21)18(14-6-4-8-29-14)12(9-22)20(24-11)30-10-16(23)27/h2-8,18,24H,10H2,1H3,(H2,23,27)(H,25,26,28)