[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC)CC(=O)NCC2=CC=CS2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC)CC(=O)NCC2=CC=CS2)OC

InChI

InChI=1S/C23H30N2O6S/c1-4-6-11-30-19-10-9-17(13-20(19)29-3)23(28)31-16-22(27)25(5-2)15-21(26)24-14-18-8-7-12-32-18/h7-10,12-13H,4-6,11,14-16H2,1-3H3,(H,24,26)