methyl 3-[2-(3-pentoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3-pentoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-pentoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(3-pentoxyphenyl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-pentoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-amoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C23H27N3O6S2 MolecularWeight: 505.60698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C23H27N3O6S2/c1-3-4-5-13-32-17-8-6-7-16(14-17)22(28)25-23-26(12-11-21(27)31-2)19-10-9-18(34(24,29)30)15-20(19)33-23/h6-10,14-15H,3-5,11-13H2,1-2H3,(H2,24,29,30)