1,3-benzothiazol-2-ylmethyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H17NO3S MolecularWeight: 387.45098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17NO3S/c1-15-10-12-16(13-11-15)22(25)17-6-2-3-7-18(17)23(26)27-14-21-24-19-8-4-5-9-20(19)28-21/h2-13H,14H2,1H3