3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-3-[2-oxidanyl-2-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]-5-methoxy-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]-5-methoxy-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-hydroxy-2-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-5-methoxyindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-hydroxy-2-keto-1-[4-(2-thenyl)piperazino]ethyl]-5-methoxy-indol-1-yl]propionic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC=CS4)CCC(=O)O

InChI

InChI=1S/C23H27N3O5S/c1-31-16-4-5-20-18(13-16)19(15-26(20)7-6-21(27)28)22(23(29)30)25-10-8-24(9-11-25)14-17-3-2-12-32-17/h2-5,12-13,15,22H,6-11,14H2,1H3,(H,27,28)(H,29,30)