methyl 3-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoate CAS Name: 3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]propanoate Traditional Name: 3-[(7-amino-3-keto-4H-1,4-benzoxazin-6-yl)thio]propionic acid methyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C2C(=C1)NC(=O)CO2)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C2C(=C1)NC(=O)CO2)N

InChI

InChI=1S/C12H14N2O4S/c1-17-12(16)2-3-19-10-5-8-9(4-7(10)13)18-6-11(15)14-8/h4-5H,2-3,6,13H2,1H3,(H,14,15)