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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H28N2O3S/c1-17-10-11-19(14-18(17)2)26-22(28)16-30-24(29)25(12-6-3-7-13-25)15-23-27-20-8-4-5-9-21(20)31-23/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,26,28)