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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCN1C(=O)CSC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCN1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C17H21N3O5S/c1-10(2)15(16(23)19-17(18)24)25-14(22)7-8-20-11-5-3-4-6-12(11)26-9-13(20)21/h3-6,10,15H,7-9H2,1-2H3,(H3,18,19,23,24)/t15-/m1/s1