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

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O4S/c1-30-19-9-7-8-18(14-19)16-26-22(28)17-31-24(29)25(12-5-2-6-13-25)15-23-27-20-10-3-4-11-21(20)32-23/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3,(H,26,28)