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

Systemtic Name: S-[3-[(2S)-2-[4-(3-hydroxyphenyl)piperazin-1-yl]carbonylpyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[(2S)-2-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[(2S)-2-[[4-(3-hydroxyphenyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(2S)-2-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(2S)-2-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-15(14-29-16(2)25)20(27)24-8-4-7-19(24)21(28)23-11-9-22(10-12-23)17-5-3-6-18(26)13-17/h3,5-6,13,15,19,26H,4,7-12,14H2,1-2H3/t15?,19-/m0/s1