ethyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C22H24N2O4S2/c1-3-27-21(26)16-9-10-18-19(15-16)30-22(24(18)12-14-29-2)23-20(25)11-13-28-17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3