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

Systemtic Name: methyl 2-[2-[2-(4-ethylsulfanylphenyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-ethylsulfanylphenyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[4-(ethylthio)phenyl]-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-ethylsulfanylphenyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(ethylthio)phenyl]acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

InChI=1S/C20H21N3O5S3/c1-3-29-14-6-4-13(5-7-14)10-18(24)22-20-23(12-19(25)28-2)16-9-8-15(31(21,26)27)11-17(16)30-20/h4-9,11H,3,10,12H2,1-2H3,(H2,21,26,27)