[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[cyclohexyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-3-(2-thenoylamino)benzoic acid [2-[cyclohexyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23ClN2O4S/c1-24(15-6-3-2-4-7-15)19(25)13-28-21(27)14-9-10-16(22)17(12-14)23-20(26)18-8-5-11-29-18/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,26)