(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23NO4S2/c1-14(2)21-19(23)13-27-17-9-4-3-7-15(17)20(24)25-11-5-8-16(22)18-10-6-12-26-18/h3-4,6-7,9-10,12,14H,5,8,11,13H2,1-2H3,(H,21,23)