[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-[5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C24H30ClNO6S MolecularWeight: 496.0161

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)OCC

InChI

InChI=1S/C24H30ClNO6S/c1-6-10-31-21-17(25)11-15(12-19(21)30-7-2)22(28)32-14-18(27)20-9-8-16(33-20)13-26-23(29)24(3,4)5/h8-9,11-12H,6-7,10,13-14H2,1-5H3,(H,26,29)