methyl 2-[[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate CAS Name: 2-[[[6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate Traditional Name: 2-[[6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carbonyl]amino]benzoic acid methyl ester Formula: C22H20N4O5S MolecularWeight: 452.483

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=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H20N4O5S/c1-12-18(20(28)26-15-7-4-3-6-13(15)22(29)30-2)19(16-8-5-9-31-16)14(10-23)21(25-12)32-11-17(24)27/h3-9,19,25H,11H2,1-2H3,(H2,24,27)(H,26,28)