benzene; methyl 2,5,6-trimethyl-4-[2-(sulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: benzene; methyl 2,5,6-trimethyl-4-[2-(sulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: benzene; methyl 2,5,6-trimethyl-4-[2-(sulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: benzene; 4-[2-(mercaptomethoxy)phenyl]-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: benzene; methyl 2,5,6-trimethyl-4-[2-(sulfanylmethoxy)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: benzene; 4-[2-(mercaptomethoxy)phenyl]-2,5,6-trimethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1C2=CC=CC=C2OCS)C(=O)OC)C)C.C1=CC=CC=C1

Isomeric SMILES

CC1=C(NC(=C(C1C2=CC=CC=C2OCS)C(=O)OC)C)C.C1=CC=CC=C1

InChI

InChI=1S/C17H21NO3S.C6H6/c1-10-11(2)18-12(3)16(17(19)20-4)15(10)13-7-5-6-8-14(13)21-9-22;1-2-4-6-5-3-1/h5-8,15,18,22H,9H2,1-4H3;1-6H