[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H25N3O5S3 MolecularWeight: 459.6032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C18H25N3O5S3/c1-25-16-5-4-14(29(23,24)21-8-10-26-11-9-21)12-15(16)19-17(22)13-28-18(27)20-6-2-3-7-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,22)