methyl 2-(2,4-dichlorophenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,4-dichlorophenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,4-dichlorobenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,4-dichlorophenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,4-dichlorobenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,4-dichlorobenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H16Cl2N2O3S2 MolecularWeight: 455.37794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=C(C=C3)Cl)Cl)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=C(C=C3)Cl)Cl)S2)CCSC

InChI

InChI=1S/C19H16Cl2N2O3S2/c1-26-18(25)11-3-6-15-16(9-11)28-19(23(15)7-8-27-2)22-17(24)13-5-4-12(20)10-14(13)21/h3-6,9-10H,7-8H2,1-2H3