4-methylsulfanyl-2-[[4-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]butanoic acid Openeye Name: 2-[[4-(1-carboxy-3-methylsulfanyl-propyl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]imino-1-cyclohexa-2,5-dienylidene]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)iminocyclohexa-2,5-dien-1-ylidene]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[1-carboxy-3-(methylthio)propyl]iminocyclohexa-2,5-dien-1-ylidene]amino]-4-(methylthio)butyric acid Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N=C1C=CC(=NC(CCSC)C(=O)O)C=C1

Isomeric SMILES

CSCCC(C(=O)O)N=C1C=CC(=NC(CCSC)C(=O)O)C=C1

InChI

InChI=1S/C16H22N2O4S2/c1-23-9-7-13(15(19)20)17-11-3-5-12(6-4-11)18-14(16(21)22)8-10-24-2/h3-6,13-14H,7-10H2,1-2H3,(H,19,20)(H,21,22)