3-[(2-butyl-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazin-6-yl)carbonylamino]propanoate

Systemtic Name: 3-[(2-butyl-5-methyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazin-6-yl)carbonylamino]propanoate Openeye Name: 3-[(2-butyl-5-methyl-4-oxo-thieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoate CAS Name: 3-[[(2-butyl-5-methyl-4-oxo-6-thieno[2,3-d][1,3]oxazinyl)-oxomethyl]amino]propanoate IUPAC Name: 3-[(2-butyl-5-methyl-4-oxothieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propanoate Traditional Name: 3-[(2-butyl-4-keto-5-methyl-thieno[2,3-d][1,3]oxazine-6-carbonyl)amino]propionate Formula: C15H17N2O5S- MolecularWeight: 337.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=C(S2)C(=O)NCCC(=O)[O-])C)C(=O)O1

Isomeric SMILES

CCCCC1=NC2=C(C(=C(S2)C(=O)NCCC(=O)[O-])C)C(=O)O1

InChI

InChI=1S/C15H18N2O5S/c1-3-4-5-9-17-14-11(15(21)22-9)8(2)12(23-14)13(20)16-7-6-10(18)19/h3-7H2,1-2H3,(H,16,20)(H,18,19)/p-1