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

Systemtic Name: methyl 3-thiophen-2-yl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-(2-thienyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-thiophen-2-yl-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoate Traditional Name: 3-(2-thienyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propionic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H18N4O3S/c1-25-17(23)9-15(16-3-2-8-26-16)21-18(24)14-6-4-13(5-7-14)10-22-12-19-11-20-22/h2-8,11-12,15H,9-10H2,1H3,(H,21,24)