methyl 2-[2-(6-bromanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(6-bromanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(6-bromo-3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Br)C

InChI

InChI=1S/C18H17BrN2O4S2/c1-8-9(2)26-17(15(8)18(24)25-3)21-14(22)7-13-16(23)20-11-6-10(19)4-5-12(11)27-13/h4-6,13H,7H2,1-3H3,(H,20,23)(H,21,22)