methyl 2-bis(ethoxysulfanyl)phosphoryloxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

Systemtic Name: methyl 2-bis(ethoxysulfanyl)phosphoryloxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Openeye Name: methyl 2-bis(ethoxysulfanyl)phosphoryloxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate CAS Name: 2-bis(ethoxythio)phosphoryloxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-bis(ethoxysulfanyl)phosphoryloxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Traditional Name: 2-bis(ethoxythio)phosphoryloxy-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid methyl ester Formula: C13H20NO6PS3 MolecularWeight: 413.469761

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Descriptors Computed from Structure

Canonical SMILES:

CCOSP(=O)(OC1=NC2=C(S1)CCCC2C(=O)OC)SOCC

Isomeric SMILES

CCOSP(=O)(OC1=NC2=C(S1)CCCC2C(=O)OC)SOCC

InChI

InChI=1S/C13H20NO6PS3/c1-4-18-23-21(16,24-19-5-2)20-13-14-11-9(12(15)17-3)7-6-8-10(11)22-13/h9H,4-8H2,1-3H3