ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O6S2/c1-3-29-20(25)14-23-17-6-4-5-7-18(17)30-21(23)22-19(24)12-13-31(26,27)16-10-8-15(28-2)9-11-16/h4-11H,3,12-14H2,1-2H3