[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-25-15-5-4-13(9-14(15)19)21-16(22)10-26-17(23)3-2-7-20-18(24)12-6-8-27-11-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,20,24)(H,21,22)