ethyl 2-[2-(6-bromanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-bromanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(6-bromo-3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21BrN2O4S2 MolecularWeight: 509.43644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Br

InChI

InChI=1S/C21H21BrN2O4S2/c1-2-28-21(27)18-12-5-3-4-6-14(12)30-20(18)24-17(25)10-16-19(26)23-13-9-11(22)7-8-15(13)29-16/h7-9,16H,2-6,10H2,1H3,(H,23,26)(H,24,25)