methyl (2R)-3-(1H-indol-3-yl)-2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]propionic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H19N3O4S/c1-28-21(27)17(9-13-10-22-15-5-3-2-4-14(13)15)24-20(26)12-6-7-18-16(8-12)23-19(25)11-29-18/h2-8,10,17,22H,9,11H2,1H3,(H,23,25)(H,24,26)/t17-/m1/s1