4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7-methoxy-coumarin Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O3S/c1-12-4-5-13(2)18(8-12)23-11-14-9-19(20)22-17-10-15(21-3)6-7-16(14)17/h4-10H,11H2,1-3H3