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

Systemtic Name: 7-methoxy-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-(o-tolylmethylsulfanylmethyl)chromen-2-one CAS Name: 7-methoxy-4-[[(2-methylphenyl)methylthio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[(2-methylphenyl)methylsulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(2-methylbenzyl)thio]methyl]coumarin Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C19H18O3S/c1-13-5-3-4-6-14(13)11-23-12-15-9-19(20)22-18-10-16(21-2)7-8-17(15)18/h3-10H,11-12H2,1-2H3