6-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-7-ethyl-chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC4=C(C=C3)OCCO4)Cl

InChI

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