ethyl 3-(2-methoxyethyl)-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[[3-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-[3-(methylthio)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S2/c1-4-27-20(25)15-8-9-17-18(13-15)29-21(23(17)10-11-26-2)22-19(24)14-6-5-7-16(12-14)28-3/h5-9,12-13H,4,10-11H2,1-3H3