ethyl 4-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(2-keto-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3

InChI

InChI=1S/C14H17N3O5S2/c1-2-22-14(19)16-5-7-17(8-6-16)24(20,21)10-3-4-11-12(9-10)23-13(18)15-11/h3-4,9H,2,5-8H2,1H3,(H,15,18)