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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

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