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

Systemtic Name: methyl 2-[2-(4-propan-2-ylphenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-isopropylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-(4-propan-2-ylphenyl)ethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-propan-2-ylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-p-cumenylacetyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-5-12-25-19-11-10-18(22(27)28-4)14-20(19)29-23(25)24-21(26)13-16-6-8-17(9-7-16)15(2)3/h1,6-11,14-15H,12-13H2,2-4H3