ethyl 2-[6-methylsulfonyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O8S2 MolecularWeight: 508.56456

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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(=C(C(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O8S2/c1-6-32-19(25)12-24-15-8-7-14(34(5,27)28)11-18(15)33-22(24)23-21(26)13-9-16(29-2)20(31-4)17(10-13)30-3/h7-11H,6,12H2,1-5H3