methyl 4-[(3-pyrrol-1-yl-3-thiophen-2-yl-propanoyl)amino]benzoate

Systemtic Name: methyl 4-[(3-pyrrol-1-yl-3-thiophen-2-yl-propanoyl)amino]benzoate Openeye Name: methyl 4-[[3-pyrrol-1-yl-3-(2-thienyl)propanoyl]amino]benzoate CAS Name: 4-[[1-oxo-3-(1-pyrrolyl)-3-thiophen-2-ylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-pyrrol-1-yl-3-thiophen-2-ylpropanoyl)amino]benzoate Traditional Name: 4-[[3-pyrrol-1-yl-3-(2-thienyl)propanoyl]amino]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC(C2=CC=CS2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC(C2=CC=CS2)N3C=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-24-19(23)14-6-8-15(9-7-14)20-18(22)13-16(17-5-4-12-25-17)21-10-2-3-11-21/h2-12,16H,13H2,1H3,(H,20,22)