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

Systemtic Name: butyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: butyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-isopropyl-amino]propanoate CAS Name: 3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-propan-2-ylamino]propanoic acid butyl ester IUPAC Name: butyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate Traditional Name: 3-[[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-isopropyl-amino]propionic acid butyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CCCCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C22H34N2O5S/c1-7-8-14-27-19(25)12-13-24(16(2)3)30-23(6)21(26)28-18-11-9-10-17-15-22(4,5)29-20(17)18/h9-11,16H,7-8,12-15H2,1-6H3