2-[(2S)-4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[2-(2-methoxyethylamino)-2-oxo-ethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-[2-keto-2-(2-methoxyethylamino)ethyl]-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CC(=O)NCCOC)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2CC(=O)NCCOC)CC(=O)O

InChI

InChI=1S/C16H20N2O6/c1-10-3-4-12-11(7-10)18(9-14(19)17-5-6-23-2)16(22)13(24-12)8-15(20)21/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,19)(H,20,21)/t13-/m0/s1