methyl 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)ethoxy]phenyl]propanoate

Systemtic Name: methyl 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)ethoxy]phenyl]propanoate Openeye Name: methyl 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoate CAS Name: 2-(ethylthio)-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoate Traditional Name: 2-(ethylthio)-3-[4-[2-(7-keto-4-methyl-1,4-diazepan-1-yl)ethoxy]phenyl]propionic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=C(C=C1)OCCN2CCN(CCC2=O)C)C(=O)OC

Isomeric SMILES

CCSC(CC1=CC=C(C=C1)OCCN2CCN(CCC2=O)C)C(=O)OC

InChI

InChI=1S/C20H30N2O4S/c1-4-27-18(20(24)25-3)15-16-5-7-17(8-6-16)26-14-13-22-12-11-21(2)10-9-19(22)23/h5-8,18H,4,9-15H2,1-3H3