ethyl 3-[[(2,2-dimethyl-3-oxidanyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[(2,2-dimethyl-3-oxidanyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: ethyl 3-[[(3-hydroxy-2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-isopropyl-amino]propanoate CAS Name: 3-[[[[(3-hydroxy-2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-propan-2-ylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate Traditional Name: 3-[[[(3-hydroxy-2,2-dimethyl-coumaran-7-yl)oxycarbonyl-methyl-amino]thio]-isopropyl-amino]propionic acid ethyl ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2O)(C)C

Isomeric SMILES

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2O)(C)C

InChI

InChI=1S/C20H30N2O6S/c1-7-26-16(23)11-12-22(13(2)3)29-21(6)19(25)27-15-10-8-9-14-17(15)28-20(4,5)18(14)24/h8-10,13,18,24H,7,11-12H2,1-6H3