[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O3S2/c1-18-8-10-19(11-9-18)31-15-14-26-22(28)17-30-24(29)25(12-4-5-13-25)16-23-27-20-6-2-3-7-21(20)32-23/h2-3,6-11H,4-5,12-17H2,1H3,(H,26,28)