2,4,6-trimethyl-3-(1-phenylsulfanylethyl)-5-propan-2-yloxycarbonyl-2,4-dihydro-1H-pyridine-3-carboxylic acid

Systemtic Name: 2,4,6-trimethyl-3-(1-phenylsulfanylethyl)-5-propan-2-yloxycarbonyl-2,4-dihydro-1H-pyridine-3-carboxylic acid Openeye Name: 5-isopropoxycarbonyl-2,4,6-trimethyl-3-(1-phenylsulfanylethyl)-2,4-dihydro-1H-pyridine-3-carboxylic acid CAS Name: 2,4,6-trimethyl-5-[oxo(propan-2-yloxy)methyl]-3-[1-(phenylthio)ethyl]-2,4-dihydro-1H-pyridine-3-carboxylic acid IUPAC Name: 2,4,6-trimethyl-3-(1-phenylsulfanylethyl)-5-propan-2-yloxycarbonyl-2,4-dihydro-1H-pyridine-3-carboxylic acid Traditional Name: 5-isopropoxycarbonyl-2,4,6-trimethyl-3-[1-(phenylthio)ethyl]-2,4-dihydro-1H-pyridine-3-carboxylic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(NC(C1(C(C)SC2=CC=CC=C2)C(=O)O)C)C)C(=O)OC(C)C

Isomeric SMILES

CC1C(=C(NC(C1(C(C)SC2=CC=CC=C2)C(=O)O)C)C)C(=O)OC(C)C

InChI

InChI=1S/C21H29NO4S/c1-12(2)26-19(23)18-13(3)21(20(24)25,15(5)22-14(18)4)16(6)27-17-10-8-7-9-11-17/h7-13,15-16,22H,1-6H3,(H,24,25)