5-methoxy-3-[2-(3-sulfosulfanylpropanoylamino)ethyl]-1H-indole

Systemtic Name: 5-methoxy-3-[2-(3-sulfosulfanylpropanoylamino)ethyl]-1H-indole Openeye Name: 5-methoxy-3-[2-(3-sulfosulfanylpropanoylamino)ethyl]-1H-indole CAS Name: 5-methoxy-3-[2-[[1-oxo-3-(sulfothio)propyl]amino]ethyl]-1H-indole IUPAC Name: 5-methoxy-3-[2-(3-sulfosulfanylpropanoylamino)ethyl]-1H-indole Traditional Name: 5-methoxy-3-[2-[3-(sulfothio)propanoylamino]ethyl]-1H-indole Formula: C14H18N2O5S2 MolecularWeight: 358.43312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCSS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCSS(=O)(=O)O

InChI

InChI=1S/C14H18N2O5S2/c1-21-11-2-3-13-12(8-11)10(9-16-13)4-6-15-14(17)5-7-22-23(18,19)20/h2-3,8-9,16H,4-7H2,1H3,(H,15,17)(H,18,19,20)