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

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-12-13(2)24-19(23-12)15-8-10-16(11-9-15)21(28)29-14(3)20(27)26-22-25-17-6-4-5-7-18(17)30-22/h4-11,14H,1-3H3,(H,23,24)(H,25,26,27)