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

Systemtic Name: ethyl 2-[2-(4-chloranylphenoxy)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-chlorophenoxy)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-chlorophenoxy)acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CC#C

InChI

InChI=1S/C21H17ClN2O4S/c1-3-11-24-17-10-5-14(20(26)27-4-2)12-18(17)29-21(24)23-19(25)13-28-16-8-6-15(22)7-9-16/h1,5-10,12H,4,11,13H2,2H3