ethyl 3-(2-methoxyethyl)-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-benzylsulfanylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[1-oxo-2-(phenylmethylthio)ethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfanylacetyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(benzylthio)acetyl]imino-3-(2-methoxyethyl)-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)CSCC3=CC=CC=C3)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCOC

InChI

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