4-butylsulfanyl-7-methoxy-chromen-2-one

Systemtic Name: 4-butylsulfanyl-7-methoxy-chromen-2-one Openeye Name: 4-butylsulfanyl-7-methoxy-chromen-2-one CAS Name: 4-(butylthio)-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-butylsulfanyl-7-methoxychromen-2-one Traditional Name: 4-(butylthio)-7-methoxy-coumarin Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

CCCCSC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C14H16O3S/c1-3-4-7-18-13-9-14(15)17-12-8-10(16-2)5-6-11(12)13/h5-6,8-9H,3-4,7H2,1-2H3