2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylcarbonyl-phenoxy]ethyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylcarbonyl-phenoxy]ethyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methyl-amino]acetic acid CAS Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-[oxo(thiophen-2-yl)methyl]phenoxy]ethyl-methylamino]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid Traditional Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-2-(2-thenoyl)phenoxy]ethyl-methyl-amino]acetic acid Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)CC(=O)O

Isomeric SMILES

CN(CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4)CC(=O)O

InChI

InChI=1S/C23H21NO6S/c1-24(13-22(25)26)8-9-28-18-6-4-15(11-17(18)23(27)21-3-2-10-31-21)16-5-7-19-20(12-16)30-14-29-19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,26)