1,3-benzothiazol-2-ylmethyl (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3aS)-4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate CAS Name: (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Traditional Name: (3aS)-4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H]2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H17N3O3S/c24-19-16-5-3-9-23(16)15-8-7-12(10-14(15)22-19)20(25)26-11-18-21-13-4-1-2-6-17(13)27-18/h1-2,4,6-8,10,16H,3,5,9,11H2,(H,22,24)/t16-/m0/s1