(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H21N3O3S/c26-21(15-29-20-13-23-18-5-1-2-6-19(18)24-20)28-14-16-7-9-17(10-8-16)22(27)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14-15H2