N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]thiophene-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-thiochromen-2-yl]thiophene-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzothiopyran-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]thiophene-2-carboxamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-thiochromen-2-yl]thiophene-2-carboxamide Formula: C21H13NO4S2 MolecularWeight: 407.46222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=CS5

InChI

InChI=1S/C21H13NO4S2/c23-19-13-4-1-2-5-16(13)28-21(22-20(24)17-6-3-9-27-17)18(19)12-7-8-14-15(10-12)26-11-25-14/h1-10H,11H2,(H,22,24)