[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H25NO4S/c1-13-8-14(2)10-15(9-13)19(24)26-12-17(23)18-7-6-16(27-18)11-22-20(25)21(3,4)5/h6-10H,11-12H2,1-5H3,(H,22,25)