[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H18N4O3S/c1-12-13(2)23-19(22-12)14-7-9-15(10-8-14)20(27)28-11-18(26)25-21-24-16-5-3-4-6-17(16)29-21/h3-10H,11H2,1-2H3,(H,22,23)(H,24,25,26)