ethyl 5-ethyl-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(3-oxo-1,4-benzothiazin-4-yl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(3-keto-1,4-benzothiazin-4-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2C(=O)CSC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2C(=O)CSC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C19H20N2O4S2/c1-3-12-9-13(19(24)25-4-2)18(27-12)20-16(22)10-21-14-7-5-6-8-15(14)26-11-17(21)23/h5-9H,3-4,10-11H2,1-2H3,(H,20,22)