[2-azanyl-3-(1,3-benzodioxol-5-yl)propanoyl] 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoate

Systemtic Name: [2-azanyl-3-(1,3-benzodioxol-5-yl)propanoyl] 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoate Openeye Name: [2-amino-3-(1,3-benzodioxol-5-yl)propanoyl] 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-propanoate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-mercaptopropanoic acid [2-amino-3-(1,3-benzodioxol-5-yl)-1-oxopropyl] ester IUPAC Name: [2-amino-3-(1,3-benzodioxol-5-yl)propanoyl] 2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)propionic acid [2-amino-3-(1,3-benzodioxol-5-yl)propanoyl] ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CS)C(=O)OC(=O)C(CC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CS)C(=O)OC(=O)C(CC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C21H21NO7S/c22-15(6-13-2-4-17-19(8-13)28-11-26-17)21(24)29-20(23)14(9-30)5-12-1-3-16-18(7-12)27-10-25-16/h1-4,7-8,14-15,30H,5-6,9-11,22H2