[2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-keto-2-[1-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C1=CC=CC=C1OC)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H30N2O4S/c1-18(19-10-4-6-12-21(19)31-2)27-23(29)17-32-25(30)26(14-8-3-9-15-26)16-24-28-20-11-5-7-13-22(20)33-24/h4-7,10-13,18H,3,8-9,14-17H2,1-2H3,(H,27,29)