4-(2-azanylethylsulfanylmethyl)-6-bromanyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-7-oxidanyl-chromen-2-one Openeye Name: 4-(2-aminoethylsulfanylmethyl)-6-bromo-7-hydroxy-chromen-2-one CAS Name: 4-[(2-aminoethylthio)methyl]-6-bromo-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(2-aminoethylsulfanylmethyl)-6-bromo-7-hydroxychromen-2-one Traditional Name: 4-[(2-aminoethylthio)methyl]-6-bromo-7-hydroxy-coumarin Formula: C12H12BrNO3S MolecularWeight: 330.19758

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CC(=C(C=C2OC1=O)O)Br)CSCCN

Isomeric SMILES

C1=C(C2=CC(=C(C=C2OC1=O)O)Br)CSCCN

InChI

InChI=1S/C12H12BrNO3S/c13-9-4-8-7(6-18-2-1-14)3-12(16)17-11(8)5-10(9)15/h3-5,15H,1-2,6,14H2