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

Systemtic Name: ethyl 4-(3,3-dimethyl-2-oxidanylidene-butyl)-2-methyl-thieno[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-(3,3-dimethyl-2-oxo-butyl)-2-methyl-thieno[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(3,3-dimethyl-2-oxobutyl)-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,3-dimethyl-2-oxobutyl)-2-methylthieno[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(2-keto-3,3-dimethyl-butyl)-2-methyl-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)C(C)(C)C)C=C(S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)C(C)(C)C)C=C(S2)C

InChI

InChI=1S/C16H21NO3S/c1-6-20-15(19)12-8-13-11(7-10(2)21-13)17(12)9-14(18)16(3,4)5/h7-8H,6,9H2,1-5H3