4-[[4-ethyl-5-methyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-ethyl-5-methyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-ethyl-5-methyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-ethyl-5-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-ethyl-5-methyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-ethyl-5-methyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)CCC(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C18H21N3O4S/c1-3-13-11(2)26-18(21-14(22)6-7-15(23)24)16(13)17(25)20-10-12-5-4-8-19-9-12/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)