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

Systemtic Name: 4-(2-azanylethylsulfanylmethyl)-7-bromanyl-chromen-2-one Openeye Name: 4-(2-aminoethylsulfanylmethyl)-7-bromo-chromen-2-one CAS Name: 4-[(2-aminoethylthio)methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-(2-aminoethylsulfanylmethyl)-7-bromochromen-2-one Traditional Name: 4-[(2-aminoethylthio)methyl]-7-bromo-coumarin Formula: C12H12BrNO2S MolecularWeight: 314.19818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCCN

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CSCCN

InChI

InChI=1S/C12H12BrNO2S/c13-9-1-2-10-8(7-17-4-3-14)5-12(15)16-11(10)6-9/h1-2,5-6H,3-4,7,14H2