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

Systemtic Name: 5-[[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-5-oxo-pentanoate CAS Name: 5-[3-methyl-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-5-oxopentanoate IUPAC Name: 5-[3-methyl-4-(thiophene-2-carbonylamino)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[3-methyl-4-(2-thenoylamino)anilino]valerate Formula: C17H17N2O4S- MolecularWeight: 345.39288

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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)/p-1