phenacyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: phenacyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: phenacyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid phenacyl ester Formula: C23H17NO3S2 MolecularWeight: 419.51598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17NO3S2/c25-20(17-6-2-1-3-7-17)14-27-22(26)18-12-10-16(11-13-18)15-28-23-24-19-8-4-5-9-21(19)29-23/h1-13H,14-15H2