ethyl 4-azanyl-6-ethanoyl-5-(phenylcarbonyl)-3-propyl-thieno[2,3-b]pyrrole-2-carboxylate

Systemtic Name: ethyl 4-azanyl-6-ethanoyl-5-(phenylcarbonyl)-3-propyl-thieno[2,3-b]pyrrole-2-carboxylate Openeye Name: ethyl 6-acetyl-4-amino-5-benzoyl-3-propyl-thieno[2,3-b]pyrrole-2-carboxylate CAS Name: 6-acetyl-4-amino-5-benzoyl-3-propyl-2-thieno[2,3-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-4-amino-5-benzoyl-3-propylthieno[2,3-b]pyrrole-2-carboxylate Traditional Name: 6-acetyl-4-amino-5-benzoyl-3-propyl-thieno[2,3-b]pyrrole-2-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC2=C1C(=C(N2C(=O)C)C(=O)C3=CC=CC=C3)N)C(=O)OCC

Isomeric SMILES

CCCC1=C(SC2=C1C(=C(N2C(=O)C)C(=O)C3=CC=CC=C3)N)C(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-4-9-14-15-16(22)17(18(25)13-10-7-6-8-11-13)23(12(3)24)20(15)28-19(14)21(26)27-5-2/h6-8,10-11H,4-5,9,22H2,1-3H3