7-methyl-4-[(phenylmethylsulfanyl)methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[(phenylmethylsulfanyl)methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-(benzylsulfanylmethyl)-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[(phenylmethylthio)methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(benzylsulfanylmethyl)-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(benzylthio)methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H22O2S/c1-14(2)18-11-19-17(10-21(22)23-20(19)9-15(18)3)13-24-12-16-7-5-4-6-8-16/h4-11,14H,12-13H2,1-3H3