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

Systemtic Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-thienyl]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[5-[(pivaloylamino)methyl]-2-thienyl]ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C(C)(C)C

InChI

InChI=1S/C21H24N2O5S/c1-13(24)23-15-7-5-6-14(10-15)19(26)28-12-17(25)18-9-8-16(29-18)11-22-20(27)21(2,3)4/h5-10H,11-12H2,1-4H3,(H,22,27)(H,23,24)