dipentyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(chloromethyl)butanedioate

Systemtic Name: dipentyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(chloromethyl)butanedioate Openeye Name: dipentyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(chloromethyl)butanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(chloromethyl)butanedioic acid dipentyl ester IUPAC Name: dipentyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(chloromethyl)butanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(chloromethyl)succinic acid diamyl ester Formula: C22H30ClNO4S2 MolecularWeight: 472.0609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CCl)C(C(=O)OCCCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCOC(=O)C(CCl)C(C(=O)OCCCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C22H30ClNO4S2/c1-3-5-9-13-27-20(25)16(15-23)19(21(26)28-14-10-6-4-2)30-22-24-17-11-7-8-12-18(17)29-22/h7-8,11-12,16,19H,3-6,9-10,13-15H2,1-2H3