3-(5-methoxy-1-thiophen-2-ylsulfonyl-indol-3-yl)propanoic acid

Systemtic Name: 3-(5-methoxy-1-thiophen-2-ylsulfonyl-indol-3-yl)propanoic acid Openeye Name: 3-[5-methoxy-1-(2-thienylsulfonyl)indol-3-yl]propanoic acid CAS Name: 3-(5-methoxy-1-thiophen-2-ylsulfonyl-3-indolyl)propanoic acid IUPAC Name: 3-(5-methoxy-1-thiophen-2-ylsulfonylindol-3-yl)propanoic acid Traditional Name: 3-[5-methoxy-1-(2-thienylsulfonyl)indol-3-yl]propionic acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H15NO5S2/c1-22-12-5-6-14-13(9-12)11(4-7-15(18)19)10-17(14)24(20,21)16-3-2-8-23-16/h2-3,5-6,8-10H,4,7H2,1H3,(H,18,19)