2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]amino]acetic acid CAS Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]amino]acetic acid Traditional Name: 2-[benzyl-[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]amino]acetic acid Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)N(CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)N(CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H25NO6S/c1-30-18-9-11-19(12-10-18)33-25-20-13-21(31-2)22(32-3)14-23(20)34-26(25)27(16-24(28)29)15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3,(H,28,29)