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

Systemtic Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)-sulfanyl-methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)-mercaptomethylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)-sulfanylmethylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[(1,3-benzodioxol-5-ylamino)-mercapto-methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=C3C=CC(=O)C=C3O)S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N/C(=C/3\C=CC(=O)C=C3O)/S

InChI

InChI=1S/C14H11NO4S/c16-9-2-3-10(11(17)6-9)14(20)15-8-1-4-12-13(5-8)19-7-18-12/h1-6,15,17,20H,7H2/b14-10-