7,8-dimethyl-4-(phenylsulfanylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(phenylsulfanylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(phenylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[(phenylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(phenylsulfanylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-4-[(phenylthio)methyl]coumarin Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=C3)C

InChI

InChI=1S/C18H16O2S/c1-12-8-9-16-14(10-17(19)20-18(16)13(12)2)11-21-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3