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

Systemtic Name: ethyl 2-[2-(4-propan-2-ylphenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)C(C)C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=C(C=C3)C(C)C)S2)CC#C

InChI

InChI=1S/C24H24N2O3S/c1-5-13-26-20-12-11-19(23(28)29-6-2)15-21(20)30-24(26)25-22(27)14-17-7-9-18(10-8-17)16(3)4/h1,7-12,15-16H,6,13-14H2,2-4H3