ethyl (2E)-2-(azepan-2-ylidene)-3-ethylsulfanyl-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2E)-2-(azepan-2-ylidene)-3-ethylsulfanyl-3-oxidanylidene-propanoate Openeye Name: ethyl (2E)-2-(azepan-2-ylidene)-3-ethylsulfanyl-3-oxo-propanoate CAS Name: (2E)-2-(2-azepanylidene)-3-(ethylthio)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(azepan-2-ylidene)-3-ethylsulfanyl-3-oxopropanoate Traditional Name: (2E)-2-(azepan-2-ylidene)-3-(ethylthio)-3-keto-propionic acid ethyl ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCCN1)C(=O)SCC

Isomeric SMILES

CCOC(=O)/C(=C\1/CCCCCN1)/C(=O)SCC

InChI

InChI=1S/C13H21NO3S/c1-3-17-12(15)11(13(16)18-4-2)10-8-6-5-7-9-14-10/h14H,3-9H2,1-2H3/b11-10+