[4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 2-methyl-2-octyl-3-oxidanylidene-1H-indene-5-carboxylate

Systemtic Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 2-methyl-2-octyl-3-oxidanylidene-1H-indene-5-carboxylate Openeye Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 2-methyl-2-octyl-3-oxo-indane-5-carboxylate CAS Name: 2-methyl-2-octyl-3-oxo-1H-indene-5-carboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] 2-methyl-2-octyl-3-oxo-1H-indene-5-carboxylate Traditional Name: 3-keto-2-methyl-2-octyl-indane-5-carboxylic acid [4-(5-decyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C37H50N2O3S MolecularWeight: 602.8695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(CC(C4=O)(C)CCCCCCCC)C=C3

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(CC(C4=O)(C)CCCCCCCC)C=C3

InChI

InChI=1S/C37H50N2O3S/c1-4-6-8-10-12-13-14-16-18-33-38-39-35(43-33)28-21-23-31(24-22-28)42-36(41)29-19-20-30-27-37(3,34(40)32(30)26-29)25-17-15-11-9-7-5-2/h19-24,26H,4-18,25,27H2,1-3H3