(4-cyanophenyl)methyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (4-cyanophenyl)methyl (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: (2S)-3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid (4-cyanobenzyl) ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N2O3S/c1-11-17(21)20-15-8-14(6-7-16(15)24-11)18(22)23-10-13-4-2-12(9-19)3-5-13/h2-8,11H,10H2,1H3,(H,20,21)/t11-/m0/s1