[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N[C@H](C)C2=CC3=CC=CC=C3O2)NC(=O)C)C

InChI

InChI=1S/C21H22N2O5S/c1-11-13(3)29-20(23-14(4)24)19(11)21(26)27-10-18(25)22-12(2)17-9-15-7-5-6-8-16(15)28-17/h5-9,12H,10H2,1-4H3,(H,22,25)(H,23,24)/t12-/m1/s1