methyl 3-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)C

InChI

InChI=1S/C21H22N2O3S/c1-14-6-7-15(2)23(14)17-10-8-16(9-11-17)21(25)22-18(13-20(24)26-3)19-5-4-12-27-19/h4-12,18H,13H2,1-3H3,(H,22,25)