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

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(3-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxy-2-oxo-ethyl)-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[[3-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxy-2-oxoethyl)-2-(3-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[3-(methylthio)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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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)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S2/c1-4-28-20(26)14-8-9-16-17(11-14)30-21(23(16)12-18(24)27-2)22-19(25)13-6-5-7-15(10-13)29-3/h5-11H,4,12H2,1-3H3