(4Z)-4-[(butan-2-ylamino)-sulfanyl-methylidene]-3,5-bis(oxidanyl)-2-propanoyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[(butan-2-ylamino)-sulfanyl-methylidene]-3,5-bis(oxidanyl)-2-propanoyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3,5-dihydroxy-2-propanoyl-4-[(sec-butylamino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[(butan-2-ylamino)-mercaptomethylidene]-3,5-dihydroxy-2-(1-oxopropyl)-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[(butan-2-ylamino)-sulfanylmethylidene]-3,5-dihydroxy-2-propanoylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3,5-dihydroxy-4-[mercapto-(sec-butylamino)methylene]-2-propionyl-cyclohexa-2,5-dien-1-one Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=C1C(=CC(=O)C(=C1O)C(=O)CC)O)S

Isomeric SMILES

CCC(C)N/C(=C/1\C(=CC(=O)C(=C1O)C(=O)CC)O)/S

InChI

InChI=1S/C14H19NO4S/c1-4-7(3)15-14(20)12-10(18)6-9(17)11(13(12)19)8(16)5-2/h6-7,15,18-20H,4-5H2,1-3H3/b14-12-