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

Systemtic Name: 4-(2-azanylethylsulfanylmethyl)-7-methoxy-chromen-2-one Openeye Name: 4-(2-aminoethylsulfanylmethyl)-7-methoxy-chromen-2-one CAS Name: 4-[(2-aminoethylthio)methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-(2-aminoethylsulfanylmethyl)-7-methoxychromen-2-one Traditional Name: 4-[(2-aminoethylthio)methyl]-7-methoxy-coumarin Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCN

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCN

InChI

InChI=1S/C13H15NO3S/c1-16-10-2-3-11-9(8-18-5-4-14)6-13(15)17-12(11)7-10/h2-3,6-7H,4-5,8,14H2,1H3