4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1-benzothiophen-2-yl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxybenzothiophen-2-yl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1-benzothiophen-2-yl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1-benzothiophen-2-yl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-[(4-methoxybenzothiophen-2-yl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Formula: C28H25NO9S2 MolecularWeight: 583.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC5=C(C=CC=C5S4)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC5=C(C=CC=C5S4)OC

InChI

InChI=1S/C28H25NO9S2/c1-3-5-16-12-18(28(31)32)9-10-20(16)38-26(17-8-11-22-23(13-17)37-15-36-22)27(30)29-40(33,34)25-14-19-21(35-2)6-4-7-24(19)39-25/h4,6-14,26H,3,5,15H2,1-2H3,(H,29,30)(H,31,32)