6-chloranyl-7-ethyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-(2-pyridylsulfanylmethyl)chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[(2-pyridinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[(2-pyridylthio)methyl]coumarin Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC=N3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC=N3)Cl

InChI

InChI=1S/C17H14ClNO2S/c1-2-11-7-15-13(9-14(11)18)12(8-17(20)21-15)10-22-16-5-3-4-6-19-16/h3-9H,2,10H2,1H3