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

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-methoxyphenyl)thio]propanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H21N3O6S3 MolecularWeight: 495.59224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

InChI=1S/C20H21N3O6S3/c1-28-13-3-5-14(6-4-13)30-10-9-18(24)22-20-23(12-19(25)29-2)16-8-7-15(32(21,26)27)11-17(16)31-20/h3-8,11H,9-10,12H2,1-2H3,(H2,21,26,27)