tert-butyl 2-[4-ethoxy-1-(4-methoxyphenyl)-4-sulfanylidene-butan-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-ethoxy-1-(4-methoxyphenyl)-4-sulfanylidene-butan-2-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[3-ethoxy-1-[(4-methoxyphenyl)methyl]-3-thioxo-propyl]pyrrolidine-1-carboxylate CAS Name: 2-[4-ethoxy-1-(4-methoxyphenyl)-4-sulfanylidenebutan-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-ethoxy-1-(4-methoxyphenyl)-4-sulfanylidenebutan-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-(3-ethoxy-1-p-anisyl-3-thioxo-propyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)CC(CC1=CC=C(C=C1)OC)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=S)CC(CC1=CC=C(C=C1)OC)C2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33NO4S/c1-6-26-20(28)15-17(14-16-9-11-18(25-5)12-10-16)19-8-7-13-23(19)21(24)27-22(2,3)4/h9-12,17,19H,6-8,13-15H2,1-5H3