3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl (2S)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (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 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl (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 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H19N3O4S/c1-12-18(24)21-15-11-13(7-8-17(15)28-12)19(25)27-10-4-9-23-16-6-3-2-5-14(16)22-20(23)26/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,21,24)(H,22,26)/t12-/m0/s1