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

Systemtic Name: ethyl 2-[2-(3-propan-2-ylsulfanylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-isopropylsulfanylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[3-(propan-2-ylthio)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-propan-2-ylsulfanylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(isopropylthio)benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-4-29-19(25)12-24-17-9-8-16(32(22,27)28)11-18(17)31-21(24)23-20(26)14-6-5-7-15(10-14)30-13(2)3/h5-11,13H,4,12H2,1-3H3,(H2,22,27,28)