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

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxidanylidene-4-thiophen-3-ylcarbonyl-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-[oxo(3-thiophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-2-oxo-4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-m-anisyloxy-4-(3-thenoyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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)C3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-28-18-5-3-4-16(10-18)14-30-19-11-23(8-6-21(26)29-2)20(25)13-24(12-19)22(27)17-7-9-31-15-17/h3-5,7,9-10,15,19H,6,8,11-14H2,1-2H3