6-ethyl-7-oxidanyl-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[3-(phenylthio)propylamino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(3-phenylsulfanylpropylamino)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[3-(phenylthio)propylamino]methyl]coumarin Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCCSC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCCSC3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO3S/c1-2-15-11-18-16(12-21(24)25-20(18)13-19(15)23)14-22-9-6-10-26-17-7-4-3-5-8-17/h3-5,7-8,11-13,22-23H,2,6,9-10,14H2,1H3