2-[2-methoxy-1-[4-methoxy-1-(phenylmethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-methoxy-1-[4-methoxy-1-(phenylmethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(1-benzyl-4-methoxy-indol-3-yl)-2-methoxy-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-methoxy-1-[4-methoxy-1-(phenylmethyl)-3-indolyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[1-(1-benzyl-4-methoxyindol-3-yl)-2-methoxy-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[1-(1-benzyl-4-methoxy-indol-3-yl)-2-keto-2-methoxy-ethyl]thio]acetic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(C(=O)OC)SCC(=O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(C(=O)OC)SCC(=O)O

InChI

InChI=1S/C21H21NO5S/c1-26-17-10-6-9-16-19(17)15(20(21(25)27-2)28-13-18(23)24)12-22(16)11-14-7-4-3-5-8-14/h3-10,12,20H,11,13H2,1-2H3,(H,23,24)