methyl 2-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(7-azanyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]acetate CAS Name: 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]acetate Traditional Name: 2-[(7-amino-3-keto-4H-1,4-benzoxazin-6-yl)thio]acetic acid methyl ester Formula: C11H12N2O4S MolecularWeight: 268.28898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C2C(=C1)NC(=O)CO2)N

Isomeric SMILES

COC(=O)CSC1=C(C=C2C(=C1)NC(=O)CO2)N

InChI

InChI=1S/C11H12N2O4S/c1-16-11(15)5-18-9-3-7-8(2-6(9)12)17-4-10(14)13-7/h2-3H,4-5,12H2,1H3,(H,13,14)