ethyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)C

InChI

InChI=1S/C21H22N2O3S2/c1-3-26-20(25)15-11-12-17-18(14-15)28-21(23(17)2)22-19(24)10-7-13-27-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3