(4-methyl-2-oxidanylidene-chromen-7-yl) 2-carbamimidoylsulfanylethanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 2-carbamimidoylsulfanylethanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 2-carbamimidoylsulfanylacetate CAS Name: 2-(carbamimidoylthio)acetic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 2-carbamimidoylsulfanylacetate Traditional Name: 2-(amidinothio)acetic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC(=N)N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC(=N)N

InChI

InChI=1S/C13H12N2O4S/c1-7-4-11(16)19-10-5-8(2-3-9(7)10)18-12(17)6-20-13(14)15/h2-5H,6H2,1H3,(H3,14,15)