5-[[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-methyl-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[3-methyl-4-(2-thenoylamino)anilino]valeric acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCC(=O)O)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCC(=O)O)NC(=O)C2=CC=CS2

InChI

InChI=1S/C17H18N2O4S/c1-11-10-12(18-15(20)5-2-6-16(21)22)7-8-13(11)19-17(23)14-4-3-9-24-14/h3-4,7-10H,2,5-6H2,1H3,(H,18,20)(H,19,23)(H,21,22)