7-methoxy-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-(p-tolylsulfanylmethyl)chromen-2-one CAS Name: 7-methoxy-4-[[(4-methylphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[(p-tolylthio)methyl]coumarin Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C18H16O3S/c1-12-3-6-15(7-4-12)22-11-13-9-18(19)21-17-10-14(20-2)5-8-16(13)17/h3-10H,11H2,1-2H3