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

Systemtic Name: 6-chloranyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-7-methylchromen-2-one Traditional Name: 6-chloro-4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-7-methyl-coumarin Formula: C20H17ClO4S MolecularWeight: 388.86458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC4=C(C=C3)OCCCO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC4=C(C=C3)OCCCO4)Cl

InChI

InChI=1S/C20H17ClO4S/c1-12-7-18-15(10-16(12)21)13(8-20(22)25-18)11-26-14-3-4-17-19(9-14)24-6-2-5-23-17/h3-4,7-10H,2,5-6,11H2,1H3