ethyl 2-[[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]amino]-2-oxo-acetate CAS Name: 2-[[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]amino]-2-oxoacetate Traditional Name: 2-keto-2-[[6-(3-mesylphenyl)-1,3-benzothiazol-2-yl]amino]acetic acid ethyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O5S2/c1-3-25-17(22)16(21)20-18-19-14-8-7-12(10-15(14)26-18)11-5-4-6-13(9-11)27(2,23)24/h4-10H,3H2,1-2H3,(H,19,20,21)