(2-methoxy-4-methylsulfanyl-phenyl)-pyrrolidin-1-yl-methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-pyrrolidin-1-yl-methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-pyrrolidin-1-yl-methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-pyrrolidino-methanone Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCC2

InChI

InChI=1S/C13H17NO2S/c1-16-12-9-10(17-2)5-6-11(12)13(15)14-7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3