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

Systemtic Name: ethyl 3-[2-(3-pentoxyphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S2/c1-3-5-6-14-33-18-9-7-8-17(15-18)23(29)26-24-27(13-12-22(28)32-4-2)20-11-10-19(35(25,30)31)16-21(20)34-24/h7-11,15-16H,3-6,12-14H2,1-2H3,(H2,25,30,31)