butyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]thio]acetic acid butyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C([C@H](C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CS3)C#N

InChI

InChI=1S/C24H25N3O3S2/c1-3-4-12-30-20(28)15-32-24-18(14-25)22(19-11-8-13-31-19)21(16(2)26-24)23(29)27-17-9-6-5-7-10-17/h5-11,13,22,26H,3-4,12,15H2,1-2H3,(H,27,29)/t22-/m0/s1