ethyl 7-chloranyl-4-(2-dimethylaminoethyl)-2-(4-methylphenyl)-1,4-benzothiazine-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-(2-dimethylaminoethyl)-2-(4-methylphenyl)-1,4-benzothiazine-3-carboxylate Openeye Name: ethyl 7-chloro-4-(2-dimethylaminoethyl)-2-(p-tolyl)-1,4-benzothiazine-3-carboxylate CAS Name: 7-chloro-4-(2-dimethylaminoethyl)-2-(4-methylphenyl)-1,4-benzothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-(2-dimethylaminoethyl)-2-(4-methylphenyl)-1,4-benzothiazine-3-carboxylate Traditional Name: 7-chloro-4-(2-dimethylaminoethyl)-2-(p-tolyl)-1,4-benzothiazine-3-carboxylic acid ethyl ester Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(N1CCN(C)C)C=CC(=C2)Cl)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(N1CCN(C)C)C=CC(=C2)Cl)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25ClN2O2S/c1-5-27-22(26)20-21(16-8-6-15(2)7-9-16)28-19-14-17(23)10-11-18(19)25(20)13-12-24(3)4/h6-11,14H,5,12-13H2,1-4H3