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

Systemtic Name: 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[(4S)-5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]thio]acetic acid IUPAC Name: 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[(4S)-3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]thio]acetic acid Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)O)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)O)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S2/c1-12-17(19(26)23-13-6-3-2-4-7-13)18(15-8-5-9-27-15)14(10-21)20(22-12)28-11-16(24)25/h2-9,18,22H,11H2,1H3,(H,23,26)(H,24,25)/t18-/m0/s1