phenacyl 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate

Systemtic Name: phenacyl 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate Openeye Name: phenacyl 6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylate CAS Name: 6-(1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylic acid phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C=CCC(C1C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO3S/c24-19(15-8-2-1-3-9-15)14-26-22(25)17-11-5-4-10-16(17)21-23-18-12-6-7-13-20(18)27-21/h1-9,12-13,16-17H,10-11,14H2