[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(1,4-dimethylpentylamino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(5-methylhexan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(1,4-dimethylpentylamino)-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-14(2)10-11-15(3)22-19(23)13-26-21(25)17-8-5-4-7-16(17)20(24)18-9-6-12-27-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,22,23)