7-methoxy-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one Openeye Name: 7-methoxy-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one CAS Name: 7-methoxy-4-[[3-(phenylthio)propylamino]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[3-(phenylthio)propylamino]methyl]coumarin Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-23-16-8-9-18-15(12-20(22)24-19(18)13-16)14-21-10-5-11-25-17-6-3-2-4-7-17/h2-4,6-9,12-13,21H,5,10-11,14H2,1H3