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

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-isopropoxybenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-isopropoxybenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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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(C)C)S2)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S2/c1-5-28-22(27)17-8-11-19-20(14-17)31-23(25(19)12-13-30-4)24-21(26)16-6-9-18(10-7-16)29-15(2)3/h6-11,14-15H,5,12-13H2,1-4H3