methyl 3-methyl-2-[2-(4-propan-2-ylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[2-(4-propan-2-ylphenyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-isopropylphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-2-(4-propan-2-ylphenyl)ethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(2-p-cumenylacetyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H22N2O3S/c1-13(2)15-7-5-14(6-8-15)11-19(24)22-21-23(3)17-10-9-16(20(25)26-4)12-18(17)27-21/h5-10,12-13H,11H2,1-4H3