[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N2O3S2/c1-12-6-8-13(9-7-12)19-16(21)10-23-17(22)11-24-18-20-14-4-2-3-5-15(14)25-18/h2-5,12-13H,6-11H2,1H3,(H,19,21)