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

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

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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)O

Isomeric SMILES

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

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/h2-9,17-18H,11H2,1H3,(H,23,26)(H,24,25)/t17?,18-/m0/s1