ethyl 2-[(4-methylphenyl)methylcarbamoylamino]-3-(phenylmethylsulfanyl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H26N2O3S/c1-3-26-20(24)19(15-27-14-18-7-5-4-6-8-18)23-21(25)22-13-17-11-9-16(2)10-12-17/h4-12,19H,3,13-15H2,1-2H3,(H2,22,23,25)