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

Systemtic Name: ethyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(5-chloro-2-methoxy-phenyl)carbamoylamino]propanoate CAS Name: 2-[[(5-chloro-2-methoxyanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(5-chloro-2-methoxy-phenyl)carbamoylamino]propionic acid ethyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-3-27-19(24)17(13-28-12-14-7-5-4-6-8-14)23-20(25)22-16-11-15(21)9-10-18(16)26-2/h4-11,17H,3,12-13H2,1-2H3,(H2,22,23,25)