ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-4-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-4-carboxylate Openeye Name: ethyl 4-(2-ethoxy-2-oxo-ethyl)-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-4-carboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-4-carboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-4-carboxylic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C2=CC=CN2SC3=CC=CC=C3N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1(C2=CC=CN2SC3=CC=CC=C3N1)C(=O)OCC

InChI

InChI=1S/C18H20N2O4S/c1-3-23-16(21)12-18(17(22)24-4-2)15-10-7-11-20(15)25-14-9-6-5-8-13(14)19-18/h5-11,19H,3-4,12H2,1-2H3