methyl 4-[(2-ethoxycarbothioylsulfanyl-6,6-dimethoxy-5-oxidanylidene-hexyl)-methylsulfonyl-amino]benzoate

Systemtic Name: methyl 4-[(2-ethoxycarbothioylsulfanyl-6,6-dimethoxy-5-oxidanylidene-hexyl)-methylsulfonyl-amino]benzoate Openeye Name: methyl 4-[(2-ethoxycarbothioylsulfanyl-6,6-dimethoxy-5-oxo-hexyl)-methylsulfonyl-amino]benzoate CAS Name: 4-[[2-[[ethoxy(sulfanylidene)methyl]thio]-6,6-dimethoxy-5-oxohexyl]-methylsulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-ethoxycarbothioylsulfanyl-6,6-dimethoxy-5-oxohexyl)-methylsulfonylamino]benzoate Traditional Name: 4-[[2-(ethoxycarbothioylthio)-5-keto-6,6-dimethoxy-hexyl]-mesyl-amino]benzoic acid methyl ester Formula: C20H29NO8S3 MolecularWeight: 507.64116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C(OC)OC)CN(C1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C(OC)OC)CN(C1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H29NO8S3/c1-6-29-20(30)31-16(11-12-17(22)19(27-3)28-4)13-21(32(5,24)25)15-9-7-14(8-10-15)18(23)26-2/h7-10,16,19H,6,11-13H2,1-5H3