[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=CS2

InChI

InChI=1S/C22H27NO4S/c1-15(2)8-6-9-16(3)23-20(24)14-27-22(26)18-11-5-4-10-17(18)21(25)19-12-7-13-28-19/h4-5,7,10-13,15-16H,6,8-9,14H2,1-3H3,(H,23,24)