propan-2-yl (3S)-3-(2-chlorophenyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(2-chlorophenyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-(2-chlorophenyl)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoate CAS Name: (3S)-3-(2-chlorophenyl)-3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(2-chlorophenyl)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoate Traditional Name: (3S)-3-(2-chlorophenyl)-3-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propionic acid isopropyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C21H21ClN2O4S/c1-12(2)28-20(26)10-16(14-5-3-4-6-15(14)22)24-21(27)13-7-8-18-17(9-13)23-19(25)11-29-18/h3-9,12,16H,10-11H2,1-2H3,(H,23,25)(H,24,27)/t16-/m0/s1