ethyl 2-[(3-iodanylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(3-iodanylphenyl)carbamoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(3-iodophenyl)carbamoylamino]propanoate CAS Name: 2-[[(3-iodoanilino)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(3-iodophenyl)carbamoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(3-iodophenyl)carbamoylamino]propionic acid ethyl ester Formula: C19H21IN2O3S MolecularWeight: 484.35111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O3S/c1-2-25-18(23)17(13-26-12-14-7-4-3-5-8-14)22-19(24)21-16-10-6-9-15(20)11-16/h3-11,17H,2,12-13H2,1H3,(H2,21,22,24)