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

Systemtic Name: ethyl N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S/c1-2-26-22(25)23-15-4-6-17-14(10-21(24)29-19(17)11-15)13-30-16-5-7-18-20(12-16)28-9-3-8-27-18/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,23,25)