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

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylsulfanylphenyl)carbonyl-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylsulfanylbenzoyl)-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-4-[[2-(methylthio)phenyl]-oxomethyl]-2-oxo-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-4-(2-methylsulfanylbenzoyl)-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-m-anisyloxy-4-[2-(methylthio)benzoyl]-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CCC(=O)OC)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C25H30N2O6S/c1-31-19-8-6-7-18(13-19)17-33-20-14-26(12-11-24(29)32-2)23(28)16-27(15-20)25(30)21-9-4-5-10-22(21)34-3/h4-10,13,20H,11-12,14-17H2,1-3H3