ethyl 2-[2-[2-(4-methoxyphenyl)sulfanylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-methoxyphenyl)sulfanylethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-methoxyphenyl)sulfanylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-methoxyphenyl)sulfanylacetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[(4-methoxyphenyl)thio]acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H21N3O6S3 MolecularWeight: 495.59224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O6S3/c1-3-29-19(25)11-23-16-9-8-15(32(21,26)27)10-17(16)31-20(23)22-18(24)12-30-14-6-4-13(28-2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H2,21,26,27)