[(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [(2S)-1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C20H24N4O4S/c1-13(2)24-17(8-10-21-24)22-20(27)14(3)28-19(26)9-11-23-15-6-4-5-7-16(15)29-12-18(23)25/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,22,27)/t14-/m0/s1