[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C16H15IN2O4S MolecularWeight: 458.27077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2)I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2)I

InChI

InChI=1S/C16H15IN2O4S/c17-12-3-1-2-4-13(12)19-14(20)9-23-15(21)5-7-18-16(22)11-6-8-24-10-11/h1-4,6,8,10H,5,7,9H2,(H,18,22)(H,19,20)