methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-1-propanethioyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-1-propanethioyl-pyrrolidine-2-carboxylate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-phenyl-1-propanethioyl-pyrrolidine-2-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenyl-1-(1-sulfanylidenepropyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-1-propanethioylpyrrolidine-2-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-1-propanethioyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N1CCC(C1(C(=O)OC)NC(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(=S)N1CCC(C1(C(=O)OC)NC(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4S/c1-6-16(27)22-13-12-15(14-10-8-7-9-11-14)20(22,17(23)25-5)21-18(24)26-19(2,3)4/h7-11,15H,6,12-13H2,1-5H3,(H,21,24)