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

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-3-methoxy-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-thiochromen-2-yl]-3-methoxy-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzothiopyran-2-yl]-3-methoxybenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-3-methoxybenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-thiochromen-2-yl]-3-methoxy-benzamide Formula: C24H17NO5S MolecularWeight: 431.46048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3S2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H17NO5S/c1-28-16-6-4-5-15(11-16)23(27)25-24-21(14-9-10-18-19(12-14)30-13-29-18)22(26)17-7-2-3-8-20(17)31-24/h2-12H,13H2,1H3,(H,25,27)