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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2(CCCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H27N3O4S/c1-17(29)26-18-9-11-19(12-10-18)27-22(30)16-32-24(31)25(13-5-2-6-14-25)15-23-28-20-7-3-4-8-21(20)33-23/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,26,29)(H,27,30)