[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1C(=O)NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1C(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19N3O5S/c1-8(2)13(15(22)19-16(17)23)24-12(20)7-11-14(21)18-9-5-3-4-6-10(9)25-11/h3-6,8,11,13H,7H2,1-2H3,(H,18,21)(H3,17,19,22,23)