8-methyl-7-oxidanyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-(2-pyridylsulfanylmethyl)chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[(2-pyridinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[(2-pyridylthio)methyl]coumarin Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=CC=CC=N3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=CC=CC=N3)O

InChI

InChI=1S/C16H13NO3S/c1-10-13(18)6-5-12-11(8-15(19)20-16(10)12)9-21-14-4-2-3-7-17-14/h2-8,18H,9H2,1H3