dimethyl 2-[cyclohexyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[cyclohexyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: dimethyl 2-[cyclohexyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[[cyclohexyl(mercapto)amino]-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[cyclohexyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[cyclohexyl(mercapto)thiocarbamoyl]succinic acid dimethyl ester Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=S)N(C1CCCCC1)S)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=S)N(C1CCCCC1)S)C(=O)OC

InChI

InChI=1S/C13H21NO4S2/c1-17-11(15)8-10(13(16)18-2)12(19)14(20)9-6-4-3-5-7-9/h9-10,20H,3-8H2,1-2H3