ethyl 2-[2-(4-methoxy-3-methyl-phenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-methoxy-3-methyl-phenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-methoxy-3-methyl-phenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-methoxy-3-methylphenyl)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-methoxy-3-methyl-phenyl)acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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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)OC)C)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-5-11-25-18-9-8-17(22(27)29-6-2)14-20(18)30-23(25)24-21(26)13-16-7-10-19(28-4)15(3)12-16/h1,7-10,12,14H,6,11,13H2,2-4H3