butyl 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-5-[(2-methoxyanilino)-oxomethyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H29N3O4S/c1-4-5-15-34-23(31)17-35-27-20(16-28)25(19-11-7-6-8-12-19)24(18(2)29-27)26(32)30-21-13-9-10-14-22(21)33-3/h6-14,25,29H,4-5,15,17H2,1-3H3,(H,30,32)