[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-(4-methylphenyl)benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-(p-tolyl)benzoate CAS Name: 4-(4-methylphenyl)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-(4-methylphenyl)benzoate Traditional Name: 4-(p-tolyl)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18N2O3S/c1-15-6-8-16(9-7-15)17-10-12-18(13-11-17)22(27)28-14-21(26)25-23-24-19-4-2-3-5-20(19)29-23/h2-13H,14H2,1H3,(H,24,25,26)