7,8-dimethyl-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[3-(phenylthio)propylamino]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[3-(phenylthio)propylamino]methyl]coumarin Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNCCCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNCCCSC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO2S/c1-15-9-10-19-17(13-20(23)24-21(19)16(15)2)14-22-11-6-12-25-18-7-4-3-5-8-18/h3-5,7-10,13,22H,6,11-12,14H2,1-2H3