[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC(C)C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC(C)C

InChI

InChI=1S/C19H28N2O4S/c1-13(2)9-10-20-17(22)11-25-19(24)15-7-5-6-8-16(15)26-12-18(23)21-14(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,20,22)(H,21,23)