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

Systemtic Name: S-[2-methyl-3-oxidanylidene-3-[(2S)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylpyrrolidin-1-yl]propyl] ethanethioate Openeye Name: S-[2-methyl-3-oxo-3-[(2S)-2-[4-(3-thienylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[(2S)-2-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]-1-pyrrolidinyl]propyl] ester IUPAC Name: S-[2-methyl-3-oxo-3-[(2S)-2-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-keto-2-methyl-3-[(2S)-2-[4-(3-thenyl)piperazine-1-carbonyl]pyrrolidino]propyl] ester Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C20H29N3O3S2/c1-15(13-28-16(2)24)19(25)23-6-3-4-18(23)20(26)22-9-7-21(8-10-22)12-17-5-11-27-14-17/h5,11,14-15,18H,3-4,6-10,12-13H2,1-2H3/t15?,18-/m0/s1