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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(3-keto-2-methyl-4H-1,4-benzothiazine-6-carbonyl)amino]propionic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-12-20(26)24-17-9-13(7-8-19(17)30-12)21(27)25-18(22(28)29-2)10-14-11-23-16-6-4-3-5-15(14)16/h3-9,11-12,18,23H,10H2,1-2H3,(H,24,26)(H,25,27)