O1-methyl O4-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] butanedioate

Systemtic Name: O1-methyl O4-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] butanedioate Openeye Name: O1-methyl O4-[(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] butanedioate CAS Name: butanedioic acid O1-methyl ester O4-[(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: 1-O-methyl 4-O-[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] butanedioate Traditional Name: succinic acid O1-methyl ester O4-[(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)CCC(=O)OC)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)CCC(=O)OC)C2=CN=CC=C2

InChI

InChI=1S/C18H24N2O4S/c1-19-17(25)18(13-6-5-11-20-12-13)10-4-3-7-14(18)24-16(22)9-8-15(21)23-2/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,19,25)/t14-,18+/m1/s1