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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)C

InChI

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