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

Systemtic Name: 3-[[4-cyclohexylsulfanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]propanoic acid Openeye Name: 3-[(4-cyclohexylsulfanyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)amino]propanoic acid CAS Name: 3-[[4-(cyclohexylthio)-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]propanoic acid IUPAC Name: 3-[(4-cyclohexylsulfanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]propanoic acid Traditional Name: 3-[[4-(cyclohexylthio)-3,6-diketo-cyclohexa-1,4-dien-1-yl]amino]propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S/c17-12-9-14(21-10-4-2-1-3-5-10)13(18)8-11(12)16-7-6-15(19)20/h8-10,16H,1-7H2,(H,19,20)