[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O4S/c1-15(2)6-4-7-16(3)23-20(25)14-28-22(27)17-9-11-18(12-10-17)24-21(26)19-8-5-13-29-19/h5,8-13,15-16H,4,6-7,14H2,1-3H3,(H,23,25)(H,24,26)