ethyl 2-[(4-ethylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-ethylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-ethylphenyl)carbamoylamino]propanoate CAS Name: 2-[[(4-ethylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-ethylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-ethylphenyl)carbamoylamino]propionic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-3-16-10-12-18(13-11-16)22-21(25)23-19(20(24)26-4-2)15-27-14-17-8-6-5-7-9-17/h5-13,19H,3-4,14-15H2,1-2H3,(H2,22,23,25)