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

Systemtic Name: ethyl 3-ethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-ethyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-3-23-17-11-10-15(20(25)26-4-2)14-18(17)28-21(23)22-19(24)12-13-27-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3