[2-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2-oxidanylidene-ethyl] azepane-1-carbodithioate

Systemtic Name: [2-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2-oxidanylidene-ethyl] azepane-1-carbodithioate Openeye Name: [2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-ethyl] azepane-1-carbodithioate CAS Name: 1-azepanecarbodithioic acid [2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoethyl] azepane-1-carbodithioate Traditional Name: azepane-1-carbodithioic acid [2-keto-2-(2-keto-3-methyl-1,3-benzoxazol-6-yl)ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CSC(=S)N3CCCCCC3)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CSC(=S)N3CCCCCC3)OC1=O

InChI

InChI=1S/C17H20N2O3S2/c1-18-13-7-6-12(10-15(13)22-16(18)21)14(20)11-24-17(23)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3