methyl 3-[2-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(3-ethyl-2-oxo-benzimidazol-1-yl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(3-ethyl-2-oxo-1-benzimidazolyl)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(3-ethyl-2-keto-benzimidazol-1-yl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CC(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C19H21N3O4S/c1-3-21-14-7-4-5-8-15(14)22(19(21)25)12-17(23)20-13(11-18(24)26-2)16-9-6-10-27-16/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)