(5E)-2-(1,3-benzodioxol-5-ylamino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-(1,3-benzodioxol-5-ylamino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-(1,3-benzodioxol-5-ylamino)-5-[(1-methylpyrrol-2-yl)methylene]thiazol-4-one CAS Name: (5E)-2-(1,3-benzodioxol-5-ylamino)-5-[(1-methyl-2-pyrrolyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-(1,3-benzodioxol-5-ylamino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-(1,3-benzodioxol-5-ylamino)-5-[(1-methylpyrrol-2-yl)methylene]-2-thiazolin-4-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C2C(=O)N=C(S2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CC=C1/C=C/2\C(=O)N=C(S2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H13N3O3S/c1-19-6-2-3-11(19)8-14-15(20)18-16(23-14)17-10-4-5-12-13(7-10)22-9-21-12/h2-8H,9H2,1H3,(H,17,18,20)/b14-8+