6-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(1-methyl-2-imidazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(1-methylimidazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[(1-methylimidazol-2-yl)thio]methyl]coumarin Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=CN3C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=CN3C)O

InChI

InChI=1S/C16H16N2O3S/c1-3-10-6-12-11(9-22-16-17-4-5-18(16)2)7-15(20)21-14(12)8-13(10)19/h4-8,19H,3,9H2,1-2H3