5-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]anilino]-5-oxopentanoic acid IUPAC Name: 5-[2-[(4-methoxycarbonyl-2,5-dihydrothiophen-3-yl)amino]anilino]-5-oxopentanoic acid Traditional Name: 5-[2-[(4-carbomethoxy-2,5-dihydrothiophen-3-yl)amino]anilino]-5-keto-valeric acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CCCC(=O)O

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CCCC(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-24-17(23)11-9-25-10-14(11)18-12-5-2-3-6-13(12)19-15(20)7-4-8-16(21)22/h2-3,5-6,18H,4,7-10H2,1H3,(H,19,20)(H,21,22)