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

Systemtic Name: 4-(2-azanylethylsulfanylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 4-(2-aminoethylsulfanylmethyl)-7-hydroxy-chromen-2-one CAS Name: 4-[(2-aminoethylthio)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-(2-aminoethylsulfanylmethyl)-7-hydroxychromen-2-one Traditional Name: 4-[(2-aminoethylthio)methyl]-7-hydroxy-coumarin Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSCCN

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSCCN

InChI

InChI=1S/C12H13NO3S/c13-3-4-17-7-8-5-12(15)16-11-6-9(14)1-2-10(8)11/h1-2,5-6,14H,3-4,7,13H2