methyl 2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O4S2/c1-26-20(25)17-11-6-2-4-8-13(11)28-19(17)22-16(23)10-15-18(24)21-12-7-3-5-9-14(12)27-15/h2-9,15H,10H2,1H3,(H,21,24)(H,22,23)