ethyl [3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methylsulfanylmethanoate

Systemtic Name: ethyl [3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methylsulfanylmethanoate Openeye Name: ethyl [3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]methylsulfanylformate CAS Name: [[3-cyano-6-methyl-5-[(2-methylanilino)-oxomethyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methylthio]formic acid ethyl ester IUPAC Name: ethyl [3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]methylsulfanylformate Traditional Name: [[3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]methylthio]formic acid ethyl ester Formula: C23H23N3O3S2 MolecularWeight: 453.57702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SCC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2C)C3=CC=CS3)C#N

Isomeric SMILES

CCOC(=O)SCC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2C)C3=CC=CS3)C#N

InChI

InChI=1S/C23H23N3O3S2/c1-4-29-23(28)31-13-18-16(12-24)21(19-10-7-11-30-19)20(15(3)25-18)22(27)26-17-9-6-5-8-14(17)2/h5-11,21,25H,4,13H2,1-3H3,(H,26,27)