2-[[4-cyclohexylsulfanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-cyclohexylsulfanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]ethanoic acid Openeye Name: 2-[(4-cyclohexylsulfanyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)amino]acetic acid CAS Name: 2-[[4-(cyclohexylthio)-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]acetic acid IUPAC Name: 2-[(4-cyclohexylsulfanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]acetic acid Traditional Name: 2-[[4-(cyclohexylthio)-3,6-diketo-cyclohexa-1,4-dien-1-yl]amino]acetic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC(=O)C(=CC2=O)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)SC2=CC(=O)C(=CC2=O)NCC(=O)O

InChI

InChI=1S/C14H17NO4S/c16-11-7-13(20-9-4-2-1-3-5-9)12(17)6-10(11)15-8-14(18)19/h6-7,9,15H,1-5,8H2,(H,18,19)