bis(14-methylpentadecyl) 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate

Systemtic Name: bis(14-methylpentadecyl) 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate Openeye Name: bis(14-methylpentadecyl) 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate CAS Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid bis(14-methylpentadecyl) ester IUPAC Name: bis(14-methylpentadecyl) 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate Traditional Name: 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]succinic acid bis(14-methylpentadecyl) ester Formula: C38H70N2O4S3 MolecularWeight: 715.1684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCC(C)C)SC1=NNC(=S)S1

Isomeric SMILES

CC(C)CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCC(C)C)SC1=NNC(=S)S1

InChI

InChI=1S/C38H70N2O4S3/c1-32(2)27-23-19-15-11-7-5-9-13-17-21-25-29-43-35(41)31-34(46-38-40-39-37(45)47-38)36(42)44-30-26-22-18-14-10-6-8-12-16-20-24-28-33(3)4/h32-34H,5-31H2,1-4H3,(H,39,45)