4-(3-oxidanylidene-1-phenyl-pentyl)sulfanylchromen-2-one

Systemtic Name: 4-(3-oxidanylidene-1-phenyl-pentyl)sulfanylchromen-2-one Openeye Name: 4-(3-oxo-1-phenyl-pentyl)sulfanylchromen-2-one CAS Name: 4-[(3-oxo-1-phenylpentyl)thio]-1-benzopyran-2-one IUPAC Name: 4-(3-oxo-1-phenylpentyl)sulfanylchromen-2-one Traditional Name: 4-[(3-keto-1-phenyl-pentyl)thio]coumarin Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=CC=C1)SC2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCC(=O)CC(C1=CC=CC=C1)SC2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C20H18O3S/c1-2-15(21)12-18(14-8-4-3-5-9-14)24-19-13-20(22)23-17-11-7-6-10-16(17)19/h3-11,13,18H,2,12H2,1H3