ethyl 2-(6-methylsulfonyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-methylsulfonyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H16N2O5S3 MolecularWeight: 424.51434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H16N2O5S3/c1-3-24-15(20)10-19-12-7-6-11(27(2,22)23)9-14(12)26-17(19)18-16(21)13-5-4-8-25-13/h4-9H,3,10H2,1-2H3