3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C18H19NO5S2 MolecularWeight: 393.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=O)CSCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=O)CSCCC(=O)O

InChI

InChI=1S/C18H19NO5S2/c20-17(12-25-9-5-18(21)22)19(11-14-2-1-8-26-14)13-3-4-15-16(10-13)24-7-6-23-15/h1-4,8,10H,5-7,9,11-12H2,(H,21,22)