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

Systemtic Name: 6-chloranyl-7-methyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one Openeye Name: 4-(benzylsulfanylmethyl)-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(phenylmethylthio)methyl]-1-benzopyran-2-one IUPAC Name: 4-(benzylsulfanylmethyl)-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(benzylthio)methyl]-6-chloro-7-methyl-coumarin Formula: C18H15ClO2S MolecularWeight: 330.8285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO2S/c1-12-7-17-15(9-16(12)19)14(8-18(20)21-17)11-22-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3