ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylethanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylethanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-20(25)16-9-10-17-18(14-16)28-21(23(17)11-12-27-2)22-19(24)13-15-7-5-4-6-8-15/h4-10,14H,3,11-13H2,1-2H3