ethyl 6-bromanyl-4-(3-chloranylpropanoyl)-2-methyl-thieno[2,3-b][1,4]benzothiazine-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(3-chloranylpropanoyl)-2-methyl-thieno[2,3-b][1,4]benzothiazine-3-carboxylate Openeye Name: ethyl 6-bromo-4-(3-chloropropanoyl)-2-methyl-thieno[2,3-b][1,4]benzothiazine-3-carboxylate CAS Name: 6-bromo-4-(3-chloro-1-oxopropyl)-2-methyl-3-thieno[2,3-b][1,4]benzothiazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(3-chloropropanoyl)-2-methylthieno[2,3-b][1,4]benzothiazine-3-carboxylate Traditional Name: 6-bromo-4-(3-chloropropanoyl)-2-methyl-thieno[2,3-b][1,4]benzothiazine-3-carboxylic acid ethyl ester Formula: C17H15BrClNO3S2 MolecularWeight: 460.7929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1N(C3=C(S2)C=CC(=C3)Br)C(=O)CCCl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1N(C3=C(S2)C=CC(=C3)Br)C(=O)CCCl)C

InChI

InChI=1S/C17H15BrClNO3S2/c1-3-23-16(22)14-9(2)24-17-15(14)20(13(21)6-7-19)11-8-10(18)4-5-12(11)25-17/h4-5,8H,3,6-7H2,1-2H3