2-[2-azanyl-5-(1,3-benzodioxol-5-yloxy)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-[2-azanyl-5-(1,3-benzodioxol-5-yloxy)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-(1,3-benzodioxol-5-yloxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-(1,3-benzodioxol-5-yloxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-(1,3-benzodioxol-5-yloxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(1,3-benzodioxol-5-yloxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C23H19NO7S MolecularWeight: 453.46446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)OC3=CC4=C(C=C3)OCO4)N)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)OC3=CC4=C(C=C3)OCO4)N)(C(=O)O)O

InChI

InChI=1S/C23H19NO7S/c1-28-14-4-2-13(3-5-14)21(32)23(27,22(25)26)17-10-15(6-8-18(17)24)31-16-7-9-19-20(11-16)30-12-29-19/h2-11,27H,12,24H2,1H3,(H,25,26)