ethyl 2-(3,4-dimethoxyphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3,4-dimethoxyphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3,4-dimethoxybenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dimethoxybenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-veratroylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-5-29-21(26)15-6-8-16-19(13-15)31-22(24(16)10-11-30-4)23-20(25)14-7-9-17(27-2)18(12-14)28-3/h6-9,12-13H,5,10-11H2,1-4H3