ethyl 2-(butylcarbamoylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-(butylcarbamoylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-(butylcarbamoylamino)propanoate CAS Name: 2-[[butylamino(oxo)methyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-(butylcarbamoylamino)propanoate Traditional Name: 3-(benzylthio)-2-(butylcarbamoylamino)propionic acid ethyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H26N2O3S/c1-3-5-11-18-17(21)19-15(16(20)22-4-2)13-23-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,18,19,21)