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

Systemtic Name: 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxidanylidene-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-(ethylthio)-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethylsulfanyl-3-[4-[2-(4-methyl-7-oxo-1,4-diazepan-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(ethylthio)-3-[4-[2-(7-keto-4-methyl-1,4-diazepan-1-yl)ethoxy]phenyl]propionic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-3-26-17(19(23)24)14-15-4-6-16(7-5-15)25-13-12-21-11-10-20(2)9-8-18(21)22/h4-7,17H,3,8-14H2,1-2H3,(H,23,24)