[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H25NO3S/c26-21(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-28-24(27)15-14-23-25-20-8-4-5-9-22(20)29-23/h4-5,8-13,17H,1-3,6-7,14-16H2