4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-ethyl-chromen-2-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-ethyl-chromen-2-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-ethyl-chromen-2-one CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-ethylchromen-2-one Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-ethyl-coumarin Formula: C21H20O4S MolecularWeight: 368.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20O4S/c1-2-14-4-6-17-15(11-21(22)25-19(17)10-14)13-26-16-5-7-18-20(12-16)24-9-3-8-23-18/h4-7,10-12H,2-3,8-9,13H2,1H3