S-[3-[(2S)-2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]carbonylpyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[(2S)-2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]carbonylpyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[(2S)-2-[4-(benzofuran-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(2S)-2-[[4-(2-benzofuranylmethyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(2S)-2-[4-(1-benzofuran-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(2S)-2-[4-(benzofuran-2-ylmethyl)piperazine-1-carbonyl]pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H31N3O4S/c1-17(16-32-18(2)28)23(29)27-9-5-7-21(27)24(30)26-12-10-25(11-13-26)15-20-14-19-6-3-4-8-22(19)31-20/h3-4,6,8,14,17,21H,5,7,9-13,15-16H2,1-2H3/t17?,21-/m0/s1