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

Systemtic Name: 4-(3,3-dimethyl-2-oxidanylidene-butyl)-2-methyl-thieno[3,2-b]pyrrole-5-carboxylic acid Openeye Name: 4-(3,3-dimethyl-2-oxo-butyl)-2-methyl-thieno[3,2-b]pyrrole-5-carboxylic acid CAS Name: 4-(3,3-dimethyl-2-oxobutyl)-2-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 4-(3,3-dimethyl-2-oxobutyl)-2-methylthieno[3,2-b]pyrrole-5-carboxylic acid Traditional Name: 4-(2-keto-3,3-dimethyl-butyl)-2-methyl-thieno[3,2-b]pyrrole-5-carboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)C=C(N2CC(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(S1)C=C(N2CC(=O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-8-5-9-11(19-8)6-10(13(17)18)15(9)7-12(16)14(2,3)4/h5-6H,7H2,1-4H3,(H,17,18)