butyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-propan-2-yl-amino]propanoate

Systemtic Name: butyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxidanylidene-ethyl]amino]sulfanyl-propan-2-yl-amino]propanoate Openeye Name: butyl 3-[[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-oxo-ethyl]amino]sulfanyl-isopropyl-amino]propanoate CAS Name: 3-[[[[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2-oxoethyl]amino]thio]-propan-2-ylamino]propanoic acid butyl ester IUPAC Name: butyl 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-oxoethyl]amino]sulfanyl-propan-2-ylamino]propanoate Traditional Name: 3-[[[[2-(2,2-dimethylcoumaran-7-yl)oxy-2-keto-ethyl]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)SNCC(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O5S/c1-6-7-13-27-19(25)11-12-24(16(2)3)30-23-15-20(26)28-18-10-8-9-17-14-22(4,5)29-21(17)18/h8-10,16,23H,6-7,11-15H2,1-5H3