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

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-2-(phenylthio)ethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[2-(phenylthio)acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C21H22N2O3S3/c1-3-26-20(25)15-9-10-17-18(13-15)29-21(23(17)11-12-27-2)22-19(24)14-28-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3