tert-butyl 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]phenyl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]carbamoylamino]phenyl]sulfanylethanoate Openeye Name: tert-butyl 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxo-ethyl]carbamoylamino]phenyl]sulfanylacetate CAS Name: 2-[[4-[[[[2-(2,5-diphenyl-1-pyrrolidinyl)-2-oxoethyl]amino]-oxomethyl]amino]phenyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-(2,5-diphenylpyrrolidin-1-yl)-2-oxoethyl]carbamoylamino]phenyl]sulfanylacetate Traditional Name: 2-[[4-[[2-(2,5-diphenylpyrrolidino)-2-keto-ethyl]carbamoylamino]phenyl]thio]acetic acid tert-butyl ester Formula: C31H35N3O4S MolecularWeight: 545.6923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)NC(=O)NCC(=O)N2C(CCC2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=CC=C(C=C1)NC(=O)NCC(=O)N2C(CCC2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3O4S/c1-31(2,3)38-29(36)21-39-25-16-14-24(15-17-25)33-30(37)32-20-28(35)34-26(22-10-6-4-7-11-22)18-19-27(34)23-12-8-5-9-13-23/h4-17,26-27H,18-21H2,1-3H3,(H2,32,33,37)