[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-pyrrolidin-1-ylbenzoate

Systemtic Name: [[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-pyrrolidin-1-ylbenzoate Openeye Name: [[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino] 4-pyrrolidin-1-ylbenzoate CAS Name: 4-(1-pyrrolidinyl)benzoic acid [[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino] 4-pyrrolidin-1-ylbenzoate Traditional Name: 4-pyrrolidinobenzoic acid [[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C23H26N2O4S/c1-17(26)30-16-20(15-18-7-3-2-4-8-18)22(27)24-29-23(28)19-9-11-21(12-10-19)25-13-5-6-14-25/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,24,27)