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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C(=O)OC2=C(C=CC(=C2)OC3=CC4=C(C=C3)OCO4)N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C(=O)OC2=C(C=CC(=C2)OC3=CC4=C(C=C3)OCO4)N)O

InChI

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