ethyl 2-[(4-ethoxyphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-ethoxyphenyl)carbamoylamino]propanoate CAS Name: 2-[[(4-ethoxyanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-ethoxyphenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-(p-phenetylcarbamoylamino)propionic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H26N2O4S/c1-3-26-18-12-10-17(11-13-18)22-21(25)23-19(20(24)27-4-2)15-28-14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H2,22,23,25)