4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-7-methoxy-chromen-2-one hydrochloride

Systemtic Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-7-methoxy-chromen-2-one hydrochloride Openeye Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-7-methoxy-chromen-2-one hydrochloride CAS Name: 4-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-7-methoxy-1-benzopyran-2-one hydrochloride IUPAC Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-7-methoxychromen-2-one hydrochloride Traditional Name: 4-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-7-methoxy-coumarin hydrochloride Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4CCCCC4N3.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4CCCCC4N3.Cl

InChI

InChI=1S/C18H20N2O3S.ClH/c1-22-12-6-7-13-11(8-17(21)23-16(13)9-12)10-24-18-19-14-4-2-3-5-15(14)20-18;/h6-9,14-15H,2-5,10H2,1H3,(H,19,20);1H