[4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate

Systemtic Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate Openeye Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate CAS Name: 5-dodecyl-2-thiophenecarboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 5-dodecylthiophene-2-carboxylate Traditional Name: 5-laurylthiophene-2-carboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C35H52N2O2S2 MolecularWeight: 596.92958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NN=C(S3)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NN=C(S3)CCCCCCCCCC

InChI

InChI=1S/C35H52N2O2S2/c1-3-5-7-9-11-13-14-15-17-19-21-31-27-28-32(40-31)35(38)39-30-25-23-29(24-26-30)34-37-36-33(41-34)22-20-18-16-12-10-8-6-4-2/h23-28H,3-22H2,1-2H3