4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-ethyl-5-[(ethylthio)-oxomethyl]-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-ethyl-5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-ethyl-5-(ethylthio)carbonyl-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=C1C(=O)O)C2=CC=CC=C2)C)C(=O)SCC

Isomeric SMILES

CCC1C(=C(NC(=C1C(=O)O)C2=CC=CC=C2)C)C(=O)SCC

InChI

InChI=1S/C18H21NO3S/c1-4-13-14(18(22)23-5-2)11(3)19-16(15(13)17(20)21)12-9-7-6-8-10-12/h6-10,13,19H,4-5H2,1-3H3,(H,20,21)