5-methoxycarbonyl-2,6-dimethyl-4-[2-(3-phenylpropyl)-3-sulfanyl-phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(3-phenylpropyl)-3-sulfanyl-phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(3-phenylpropyl)-3-sulfanyl-phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-[3-mercapto-2-(3-phenylpropyl)phenyl]-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(3-phenylpropyl)-3-sulfanylphenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-[3-mercapto-2-(3-phenylpropyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)S)CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)S)CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27NO4S/c1-15-21(24(27)28)23(22(16(2)26-15)25(29)30-3)19-13-8-14-20(31)18(19)12-7-11-17-9-5-4-6-10-17/h4-6,8-10,13-14,23,26,31H,7,11-12H2,1-3H3,(H,27,28)