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

Systemtic Name: methyl 2-[2-(6-bromanyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19BrN2O4S2 MolecularWeight: 495.40986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4S2/c1-27-20(26)17-11-4-2-3-5-13(11)29-19(17)23-16(24)9-15-18(25)22-12-8-10(21)6-7-14(12)28-15/h6-8,15H,2-5,9H2,1H3,(H,22,25)(H,23,24)