7-ethanoyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-ethanoyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-acetyl-4-(2-pyridylsulfanylmethyl)chromen-2-one CAS Name: 7-acetyl-4-[(2-pyridinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-acetyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-acetyl-4-[(2-pyridylthio)methyl]coumarin Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=N3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=N3

InChI

InChI=1S/C17H13NO3S/c1-11(19)12-5-6-14-13(9-17(20)21-15(14)8-12)10-22-16-4-2-3-7-18-16/h2-9H,10H2,1H3