[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)CC(C2=CC=CS2)NC(=O)C

InChI

InChI=1S/C21H28N2O5S/c1-14-11-17(15(2)23(14)8-6-9-27-4)19(25)13-28-21(26)12-18(22-16(3)24)20-7-5-10-29-20/h5,7,10-11,18H,6,8-9,12-13H2,1-4H3,(H,22,24)