4-(2-hydroxyethylsulfanylmethyl)-7-methyl-chromen-2-one

Systemtic Name: 4-(2-hydroxyethylsulfanylmethyl)-7-methyl-chromen-2-one Openeye Name: 4-(2-hydroxyethylsulfanylmethyl)-7-methyl-chromen-2-one CAS Name: 4-[(2-hydroxyethylthio)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(2-hydroxyethylsulfanylmethyl)-7-methylchromen-2-one Traditional Name: 4-[(2-hydroxyethylthio)methyl]-7-methyl-coumarin Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCO

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCO

InChI

InChI=1S/C13H14O3S/c1-9-2-3-11-10(8-17-5-4-14)7-13(15)16-12(11)6-9/h2-3,6-7,14H,4-5,8H2,1H3