ethyl 4-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-7-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-7-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(3-keto-2-methyl-4H-1,4-benzothiazin-7-yl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S2/c1-3-24-16(21)18-6-8-19(9-7-18)26(22,23)12-4-5-13-14(10-12)25-11(2)15(20)17-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,20)