4-sulfanylidene-3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-sulfanylidene-3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 3-(3-tetralin-2-ylpropanoyl)-4-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 3-[1-oxo-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propyl]-4-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 4-sulfanylidene-3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 3-(3-tetralin-2-ylpropanoyl)-4-thioxo-proline Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CC1CCC(=O)C3C(NCC3=S)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2CC1CCC(=O)C3C(NCC3=S)C(=O)O

InChI

InChI=1S/C18H21NO3S/c20-14(16-15(23)10-19-17(16)18(21)22)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-4,11,16-17,19H,5-10H2,(H,21,22)