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

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H30N2O8S2 MolecularWeight: 550.6443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OCC

InChI

InChI=1S/C25H30N2O8S2/c1-6-32-19-12-16(13-20(33-7-2)23(19)35-9-4)24(29)26-25-27(15-22(28)34-8-3)18-11-10-17(37(5,30)31)14-21(18)36-25/h10-14H,6-9,15H2,1-5H3