methyl 4-acetamido-2,3-dimethyl-6-[2-oxidanylidene-2-(phenethylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate

Systemtic Name: methyl 4-acetamido-2,3-dimethyl-6-[2-oxidanylidene-2-(phenethylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate Openeye Name: methyl 4-acetamido-2,3-dimethyl-6-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate CAS Name: 4-acetamido-2,3-dimethyl-6-[2-oxo-2-(phenethylamino)ethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-acetamido-2,3-dimethyl-6-[2-oxo-2-(phenethylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate Traditional Name: 4-acetamido-6-[2-keto-2-(phenethylamino)ethyl]-2,3-dimethyl-thieno[2,3-b]pyrrole-5-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=C(N2CC(=O)NCCC3=CC=CC=C3)C(=O)OC)NC(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=C(N2CC(=O)NCCC3=CC=CC=C3)C(=O)OC)NC(=O)C)C

InChI

InChI=1S/C22H25N3O4S/c1-13-14(2)30-21-18(13)19(24-15(3)26)20(22(28)29-4)25(21)12-17(27)23-11-10-16-8-6-5-7-9-16/h5-9H,10-12H2,1-4H3,(H,23,27)(H,24,26)