[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate CAS Name: 6-(1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate Traditional Name: 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21NO4S/c1-27-20-12-6-4-10-17(20)19(25)14-28-23(26)16-9-3-2-8-15(16)22-24-18-11-5-7-13-21(18)29-22/h2-7,10-13,15-16H,8-9,14H2,1H3