methyl 6-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[oxo-[[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]methyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H26N2O3S3 MolecularWeight: 450.63774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)OC

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)OC

InChI

InChI=1S/C21H26N2O3S3/c1-13(2)27-10-11-28-21-23-17-9-8-14(12-18(17)29-21)22-19(24)15-6-4-5-7-16(15)20(25)26-3/h4-5,8-9,12-13,15-16H,6-7,10-11H2,1-3H3,(H,22,24)