propan-2-yl (3S,4R)-2-azanylidene-3-cyano-6-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydrothiopyran-5-carboxylate

Systemtic Name: propan-2-yl (3S,4R)-2-azanylidene-3-cyano-6-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydrothiopyran-5-carboxylate Openeye Name: isopropyl (3S,4R)-3-cyano-2-imino-4-(4-isopropylphenyl)-6-methyl-3,4-dihydrothiopyran-5-carboxylate CAS Name: (3S,4R)-3-cyano-2-imino-6-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydrothiopyran-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S,4R)-3-cyano-2-imino-6-methyl-4-(4-propan-2-ylphenyl)-3,4-dihydrothiopyran-5-carboxylate Traditional Name: (3S,4R)-3-cyano-2-imino-6-methyl-4-p-cumenyl-3,4-dihydrothiopyran-5-carboxylic acid isopropyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=N)S1)C#N)C2=CC=C(C=C2)C(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@H]([C@H](C(=N)S1)C#N)C2=CC=C(C=C2)C(C)C)C(=O)OC(C)C

InChI

InChI=1S/C20H24N2O2S/c1-11(2)14-6-8-15(9-7-14)18-16(10-21)19(22)25-13(5)17(18)20(23)24-12(3)4/h6-9,11-12,16,18,22H,1-5H3/t16-,18+/m1/s1