1-[4-(5-chloranylthiophen-2-yl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(5-chloro-2-thienyl)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(5-chloro-2-thiophenyl)-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(5-chloro-2-thienyl)-4-keto-2-methyl-butanoyl]proline Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(S1)Cl)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=C(S1)Cl)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C14H16ClNO4S/c1-8(7-10(17)11-4-5-12(15)21-11)13(18)16-6-2-3-9(16)14(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,20)