methyl 3-(2-imidazol-1-ylpropanoylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(2-imidazol-1-ylpropanoylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(2-imidazol-1-ylpropanoylamino)-3-(2-thienyl)propanoate CAS Name: 3-[[2-(1-imidazolyl)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(2-imidazol-1-ylpropanoylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-imidazol-1-ylpropanoylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)OC)C1=CC=CS1)N2C=CN=C2

Isomeric SMILES

CC(C(=O)NC(CC(=O)OC)C1=CC=CS1)N2C=CN=C2

InChI

InChI=1S/C14H17N3O3S/c1-10(17-6-5-15-9-17)14(19)16-11(8-13(18)20-2)12-4-3-7-21-12/h3-7,9-11H,8H2,1-2H3,(H,16,19)