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

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H23N3O4S2/c1-12-6-2-3-7-13(12)20-18(25)22-16(23)10-26-17(24)11-27-19-21-14-8-4-5-9-15(14)28-19/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,20,22,23,25)