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

Systemtic Name: ethyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[(4S)-5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(2-thienyl)-3,4-dihydropyridin-2-yl]thio]acetic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C([C@H](C1C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O3S2/c1-3-28-18(26)13-30-22-16(12-23)20(17-10-7-11-29-17)19(14(2)24-22)21(27)25-15-8-5-4-6-9-15/h4-11,16,20H,3,13H2,1-2H3,(H,25,27)/t16?,20-/m1/s1