4-[[2-(furan-2-ylmethylsulfanyl)ethylamino]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[2-(furan-2-ylmethylsulfanyl)ethylamino]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[2-(2-furylmethylsulfanyl)ethylamino]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[2-(2-furanylmethylthio)ethylamino]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[2-(furan-2-ylmethylsulfanyl)ethylamino]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[2-(2-furfurylthio)ethylamino]methyl]-7-methoxy-coumarin Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCCSCC3=CC=CO3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCCSCC3=CC=CO3

InChI

InChI=1S/C18H19NO4S/c1-21-14-4-5-16-13(9-18(20)23-17(16)10-14)11-19-6-8-24-12-15-3-2-7-22-15/h2-5,7,9-10,19H,6,8,11-12H2,1H3