dinonyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioate

Systemtic Name: dinonyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioate Openeye Name: dinonyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(methoxymethyl)butanedioic acid dinonyl ester IUPAC Name: dinonyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(methoxymethyl)succinic acid dinonyl ester Formula: C31H49NO5S2 MolecularWeight: 579.85446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C(COC)C(C(=O)OCCCCCCCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCOC(=O)C(COC)C(C(=O)OCCCCCCCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C31H49NO5S2/c1-4-6-8-10-12-14-18-22-36-29(33)25(24-35-3)28(30(34)37-23-19-15-13-11-9-7-5-2)39-31-32-26-20-16-17-21-27(26)38-31/h16-17,20-21,25,28H,4-15,18-19,22-24H2,1-3H3