1-(2-methylsulfanyl-4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)but-3-en-1-one

Systemtic Name: 1-(2-methylsulfanyl-4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)but-3-en-1-one Openeye Name: 1-(2-methylsulfanyl-4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)but-3-en-1-one CAS Name: 1-[2-(methylthio)-4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl]-3-buten-1-one IUPAC Name: 1-(2-methylsulfanyl-4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)but-3-en-1-one Traditional Name: 1-[2-(methylthio)-4,5,6,7-tetrahydrofur[2,3-b]azepin-8-yl]but-3-en-1-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(O1)N(CCCC2)C(=O)CC=C

Isomeric SMILES

CSC1=CC2=C(O1)N(CCCC2)C(=O)CC=C

InChI

InChI=1S/C13H17NO2S/c1-3-6-11(15)14-8-5-4-7-10-9-12(17-2)16-13(10)14/h3,9H,1,4-8H2,2H3