1-[4-(1-benzothiophen-2-yl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(1-benzothiophen-2-yl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzothiophen-2-yl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(1-benzothiophen-2-yl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(1-benzothiophen-2-yl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzothiophen-2-yl)-4-keto-2-methyl-butanoyl]proline Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC2=CC=CC=C2S1)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC2=CC=CC=C2S1)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-11(17(21)19-8-4-6-13(19)18(22)23)9-14(20)16-10-12-5-2-3-7-15(12)24-16/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,22,23)