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

Systemtic Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate CAS Name: 2-[[(2,5-dimethoxyanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2,5-dimethoxyphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2,5-dimethoxyphenyl)carbamoylamino]propionic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-28-20(24)18(14-29-13-15-8-6-5-7-9-15)23-21(25)22-17-12-16(26-2)10-11-19(17)27-3/h5-12,18H,4,13-14H2,1-3H3,(H2,22,23,25)