methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-(2-thiophen-3-ylethanoyl)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-[2-(3-thienyl)acetyl]-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-[1-oxo-2-(3-thiophenyl)ethyl]-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(2-thiophen-3-ylacetyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-m-anisyloxy-4-[2-(3-thienyl)acetyl]-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)CC3=CSC=C3

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)CC3=CSC=C3

InChI

InChI=1S/C23H28N2O6S/c1-29-19-5-3-4-17(10-19)15-31-20-12-24(8-6-23(28)30-2)22(27)14-25(13-20)21(26)11-18-7-9-32-16-18/h3-5,7,9-10,16,20H,6,8,11-15H2,1-2H3