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

Systemtic Name: methyl 3-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-methyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S2/c1-21-15-9-8-13(18(23)24-2)12-16(15)26-19(21)20-17(22)10-11-25-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3