4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[2-(1-azepanyl)-2-oxoethyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[2-(azepan-1-yl)-2-keto-ethyl]thio]methyl]-7,8-dimethyl-coumarin Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H25NO3S/c1-14-7-8-17-16(11-19(23)24-20(17)15(14)2)12-25-13-18(22)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12-13H2,1-2H3