1-[2-[[1-ethoxy-1,6-bis(oxidanylidene)-6-thiophen-2-yl-hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-ethoxy-1,6-bis(oxidanylidene)-6-thiophen-2-yl-hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-ethoxycarbonyl-5-oxo-5-(2-thienyl)pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(1-ethoxy-1,6-dioxo-6-thiophen-2-ylhexan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1-ethoxy-1,6-dioxo-6-thiophen-2-ylhexan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-carbethoxy-5-keto-5-(2-thienyl)pentyl]amino]propanoyl]proline Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=O)C1=CC=CS1)NC(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCC(=O)C1=CC=CS1)NC(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H28N2O6S/c1-3-28-20(27)14(7-4-9-16(23)17-10-6-12-29-17)21-13(2)18(24)22-11-5-8-15(22)19(25)26/h6,10,12-15,21H,3-5,7-9,11H2,1-2H3,(H,25,26)