dimethyl 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzothiazol-2-ylsulfanyl)cyclohexane-1,2-dicarboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylthio)cyclohexane-1,2-dicarboxylic acid dimethyl ester Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1(C(=O)OC)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1CCCCC1(C(=O)OC)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19NO4S2/c1-21-14(19)11-7-5-6-10-17(11,15(20)22-2)24-16-18-12-8-3-4-9-13(12)23-16/h3-4,8-9,11H,5-7,10H2,1-2H3