[2-oxidanylidene-2-(pentylamino)-1-thiophen-2-yl-ethyl] benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)-1-thiophen-2-yl-ethyl] benzoate Openeye Name: [2-oxo-2-(pentylamino)-1-(2-thienyl)ethyl] benzoate CAS Name: benzoic acid [2-oxo-2-(pentylamino)-1-thiophen-2-ylethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)-1-thiophen-2-ylethyl] benzoate Traditional Name: benzoic acid [2-(amylamino)-2-keto-1-(2-thienyl)ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C1=CC=CS1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCNC(=O)C(C1=CC=CS1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S/c1-2-3-7-12-19-17(20)16(15-11-8-13-23-15)22-18(21)14-9-5-4-6-10-14/h4-6,8-11,13,16H,2-3,7,12H2,1H3,(H,19,20)