ethyl 2-(3-ethanoylsulfanylpropanoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate

Systemtic Name: ethyl 2-(3-ethanoylsulfanylpropanoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Openeye Name: ethyl 2-(3-acetylsulfanylpropanoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-acetylsulfanylpropanoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Traditional Name: 2-[3-(acetylthio)propanoyl]-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=O)CCSC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=O)CCSC(=O)C

InChI

InChI=1S/C16H21NO4S2/c1-3-21-16(20)14-15(12(19)8-9-22-10(2)18)23-13-7-5-4-6-11(13)17-14/h17H,3-9H2,1-2H3