3-[2-(4-methylphenyl)sulfanylethanoyl]chromen-2-one

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethanoyl]chromen-2-one Openeye Name: 3-[2-(p-tolylsulfanyl)acetyl]chromen-2-one CAS Name: 3-[2-[(4-methylphenyl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-methylphenyl)sulfanylacetyl]chromen-2-one Traditional Name: 3-[2-(p-tolylthio)acetyl]coumarin Formula: C18H14O3S MolecularWeight: 310.36696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C18H14O3S/c1-12-6-8-14(9-7-12)22-11-16(19)15-10-13-4-2-3-5-17(13)21-18(15)20/h2-10H,11H2,1H3