ethyl 2-[2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-isopropylsulfanylphenyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-2-[4-(propan-2-ylthio)phenyl]ethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-propan-2-ylsulfanylphenyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(isopropylthio)phenyl]acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H25N3O5S3 MolecularWeight: 507.646

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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)CC3=CC=C(C=C3)SC(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=C(C=C3)SC(C)C

InChI

InChI=1S/C22H25N3O5S3/c1-4-30-21(27)13-25-18-10-9-17(33(23,28)29)12-19(18)32-22(25)24-20(26)11-15-5-7-16(8-6-15)31-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,23,28,29)