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

Systemtic Name: methyl 2-[2-(4-propan-2-ylsulfanylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-isopropylsulfanylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[4-(propan-2-ylthio)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-propan-2-ylsulfanylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(isopropylthio)benzoyl]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:

CC(C)SC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

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