methyl 4-[4-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[(2S)-2-amino-4-methylsulfanyl-butanoyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2S)-2-amino-4-methylsulfanylbutanoyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(2S)-2-amino-4-(methylthio)butanoyl]piperazino]benzoic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CCSC)N

InChI

InChI=1S/C17H25N3O3S/c1-23-17(22)13-3-5-14(6-4-13)19-8-10-20(11-9-19)16(21)15(18)7-12-24-2/h3-6,15H,7-12,18H2,1-2H3/t15-/m0/s1