methyl 2-[[(4R)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[(4R)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(4R)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[(4R)-3-[anilino(oxo)methyl]-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(4R)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[(4R)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-6-yl]thio]acetic acid methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N)SCC(=O)OC

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N)SCC(=O)OC

InChI

InChI=1S/C21H19N3O3S2/c1-13-18(20(26)24-14-7-4-3-5-8-14)19(16-9-6-10-28-16)15(11-22)21(23-13)29-12-17(25)27-2/h3-10,18-19H,12H2,1-2H3,(H,24,26)/t18?,19-/m1/s1