1-[2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxidanylidene-ethyl]amino]propanoyl]-3-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxidanylidene-ethyl]amino]propanoyl]-3-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-ethoxy-1-indan-2-yl-2-oxo-ethyl)amino]propanoyl]-3-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]amino]-1-oxopropyl]-3-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-(2,3-dihydro-1H-inden-2-yl)-2-ethoxy-2-oxoethyl]amino]propanoyl]-3-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-ethoxy-1-indan-2-yl-2-keto-ethyl)amino]propanoyl]-3-thioxo-proline Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC2=CC=CC=C2C1)NC(C)C(=O)N3CCC(=S)C3C(=O)O

Isomeric SMILES

CCOC(=O)C(C1CC2=CC=CC=C2C1)NC(C)C(=O)N3CCC(=S)C3C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-3-28-21(27)17(15-10-13-6-4-5-7-14(13)11-15)22-12(2)19(24)23-9-8-16(29)18(23)20(25)26/h4-7,12,15,17-18,22H,3,8-11H2,1-2H3,(H,25,26)