ethyl 2-[(5-chloranyl-2-methyl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(5-chloranyl-2-methyl-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(5-chloro-2-methyl-phenyl)carbamoylamino]propanoate CAS Name: 2-[[(5-chloro-2-methylanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-chloro-2-methyl-phenyl)carbamoylamino]propionic acid ethyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-3-26-19(24)18(13-27-12-15-7-5-4-6-8-15)23-20(25)22-17-11-16(21)10-9-14(17)2/h4-11,18H,3,12-13H2,1-2H3,(H2,22,23,25)