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

Systemtic Name: methyl 2-[2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H23N3O5S3/c1-13(2)30-15-6-4-14(5-7-15)10-19(25)23-21-24(12-20(26)29-3)17-9-8-16(32(22,27)28)11-18(17)31-21/h4-9,11,13H,10,12H2,1-3H3,(H2,22,27,28)