dimethyl (2S,3S)-2-cyclohexyl-3-pyridin-2-ylsulfanyl-butanedioate

Systemtic Name: dimethyl (2S,3S)-2-cyclohexyl-3-pyridin-2-ylsulfanyl-butanedioate Openeye Name: dimethyl (2S,3S)-2-cyclohexyl-3-(2-pyridylsulfanyl)butanedioate CAS Name: (2S,3S)-2-cyclohexyl-3-(2-pyridinylthio)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-cyclohexyl-3-pyridin-2-ylsulfanylbutanedioate Traditional Name: (2S,3S)-2-cyclohexyl-3-(2-pyridylthio)succinic acid dimethyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1)C(C(=O)OC)SC2=CC=CC=N2

Isomeric SMILES

COC(=O)[C@H](C1CCCCC1)[C@@H](C(=O)OC)SC2=CC=CC=N2

InChI

InChI=1S/C17H23NO4S/c1-21-16(19)14(12-8-4-3-5-9-12)15(17(20)22-2)23-13-10-6-7-11-18-13/h6-7,10-12,14-15H,3-5,8-9H2,1-2H3/t14-,15+/m1/s1