S-[5-[[3-(dimethylamino)-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-[[3-(dimethylamino)-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-[[3-(dimethylamino)-3-oxo-propyl]carbamoyl]-1-methyl-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-[[[3-(dimethylamino)-3-oxopropyl]amino]-oxomethyl]-1-methyl-3-pyrrolidinyl] ester IUPAC Name: S-[5-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-1-methylpyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-[[3-(dimethylamino)-3-keto-propyl]carbamoyl]-1-methyl-pyrrolidin-3-yl] ester Formula: C13H23N3O3S MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C)C(=O)NCCC(=O)N(C)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C)C(=O)NCCC(=O)N(C)C

InChI

InChI=1S/C13H23N3O3S/c1-9(17)20-10-7-11(16(4)8-10)13(19)14-6-5-12(18)15(2)3/h10-11H,5-8H2,1-4H3,(H,14,19)