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

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-(4-phenoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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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)OC4=CC=CC=C4)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C26H24N2O4S2/c1-3-31-25(30)19-11-14-22-23(17-19)34-26(28(22)15-16-33-2)27-24(29)18-9-12-21(13-10-18)32-20-7-5-4-6-8-20/h4-14,17H,3,15-16H2,1-2H3