[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C17H17ClN2O5S/c1-24-14-3-2-12(18)8-13(14)20-15(21)9-25-16(22)4-6-19-17(23)11-5-7-26-10-11/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,23)(H,20,21)