methyl 3-ethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-3-22-16-10-9-14(19(24)25-2)13-17(16)27-20(22)21-18(23)11-12-26-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3