ethyl 2-[(2-tert-butylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2C(C)(C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2C(C)(C)C

InChI

InChI=1S/C23H30N2O3S/c1-5-28-21(26)20(16-29-15-17-11-7-6-8-12-17)25-22(27)24-19-14-10-9-13-18(19)23(2,3)4/h6-14,20H,5,15-16H2,1-4H3,(H2,24,25,27)