ethyl 2-[(2,6-diethylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2,6-diethylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2,6-diethylphenyl)carbamoylamino]propanoate CAS Name: 2-[[(2,6-diethylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2,6-diethylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2,6-diethylphenyl)carbamoylamino]propionic acid ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H30N2O3S/c1-4-18-13-10-14-19(5-2)21(18)25-23(27)24-20(22(26)28-6-3)16-29-15-17-11-8-7-9-12-17/h7-14,20H,4-6,15-16H2,1-3H3,(H2,24,25,27)