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

Systemtic Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-4-(3-methylsulfanylpropanoyl)-2-oxidanylidene-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-4-(3-methylsulfanylpropanoyl)-2-oxo-1,4-diazepan-1-yl]propanoate CAS Name: 3-[6-[(3-methoxyphenyl)methoxy]-4-[3-(methylthio)-1-oxopropyl]-2-oxo-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(3-methoxyphenyl)methoxy]-4-(3-methylsulfanylpropanoyl)-2-oxo-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-m-anisyloxy-4-[3-(methylthio)propanoyl]-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6S/c1-27-17-6-4-5-16(11-17)15-29-18-12-22(9-7-21(26)28-2)20(25)14-23(13-18)19(24)8-10-30-3/h4-6,11,18H,7-10,12-15H2,1-3H3