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

Systemtic Name: methyl 2-[2-(4-methylsulfanylphenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-methylsulfanylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[4-(methylthio)phenyl]-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylsulfanylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[4-(methylthio)phenyl]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S2/c1-4-11-23-17-10-7-15(20(25)26-2)13-18(17)28-21(23)22-19(24)12-14-5-8-16(27-3)9-6-14/h1,5-10,13H,11-12H2,2-3H3