methyl 3-[(4-pyrrol-1-ylphenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-pyrrol-1-ylphenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(4-pyrrol-1-ylbenzoyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-pyrrol-1-ylbenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-pyrrol-1-ylbenzoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

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