methyl 2-[6-sulfamoyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-sulfamoyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-sulfamoyl-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-sulfamoyl-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-sulfamoyl-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H20N4O7S4 MolecularWeight: 544.6447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H20N4O7S4/c1-30-16(24)11-22-13-7-6-12(33(20,26)27)10-15(13)32-19(22)21-18(25)14-4-2-8-23(14)34(28,29)17-5-3-9-31-17/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H2,20,26,27)