[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C25H28N2O5S/c1-30-19-11-10-17(14-20(19)31-2)26-22(28)16-32-24(29)25(12-6-3-7-13-25)15-23-27-18-8-4-5-9-21(18)33-23/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,26,28)