ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2,5-dimethylphenyl)carbamoylamino]propanoate CAS Name: 2-[[(2,5-dimethylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2,5-dimethylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2,5-dimethylphenyl)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)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=C(C=CC(=C2)C)C

InChI

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