N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxidanylidene-chromen-7-yl]ethanamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxidanylidene-chromen-7-yl]ethanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxo-chromen-7-yl]acetamide CAS Name: N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-oxo-1-benzopyran-7-yl]acetamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxochromen-7-yl]acetamide Traditional Name: N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-keto-chromen-7-yl]acetamide Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H19NO5S/c1-13(23)22-15-3-5-17-14(9-21(24)27-19(17)10-15)12-28-16-4-6-18-20(11-16)26-8-2-7-25-18/h3-6,9-11H,2,7-8,12H2,1H3,(H,22,23)