O1-methyl O4-octadecyl 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate

Systemtic Name: O1-methyl O4-octadecyl 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate Openeye Name: O1-methyl O4-octadecyl 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate CAS Name: 2-[[[4-(dibutylamino)-1,3-benzothiazol-2-yl]thio]methyl]butanedioic acid O1-methyl ester O4-octadecyl ester IUPAC Name: 1-O-methyl 4-O-octadecyl 2-[[4-(dibutylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]butanedioate Traditional Name: 2-[[[4-(dibutylamino)-1,3-benzothiazol-2-yl]thio]methyl]succinic acid O1-methyl ester O4-stearyl ester Formula: C39H66N2O4S2 MolecularWeight: 691.08234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(CSC1=NC2=C(C=CC=C2S1)N(CCCC)CCCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(CSC1=NC2=C(C=CC=C2S1)N(CCCC)CCCC)C(=O)OC

InChI

InChI=1S/C39H66N2O4S2/c1-5-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-45-36(42)31-33(38(43)44-4)32-46-39-40-37-34(26-25-27-35(37)47-39)41(28-9-6-2)29-10-7-3/h25-27,33H,5-24,28-32H2,1-4H3