octadecyl 4-azanyl-5-tridecanoyl-2,3-dihydrothiophene-3-carboxylate

Systemtic Name: octadecyl 4-azanyl-5-tridecanoyl-2,3-dihydrothiophene-3-carboxylate Openeye Name: octadecyl 4-amino-5-tridecanoyl-2,3-dihydrothiophene-3-carboxylate CAS Name: 4-amino-5-(1-oxotridecyl)-2,3-dihydrothiophene-3-carboxylic acid octadecyl ester IUPAC Name: octadecyl 4-amino-5-tridecanoyl-2,3-dihydrothiophene-3-carboxylate Traditional Name: 4-amino-5-tridecanoyl-2,3-dihydrothiophene-3-carboxylic acid stearyl ester Formula: C36H67NO3S MolecularWeight: 593.98708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1CSC(=C1N)C(=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CSC(=C1N)C(=O)CCCCCCCCCCCC

InChI

InChI=1S/C36H67NO3S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-40-36(39)32-31-41-35(34(32)37)33(38)29-27-25-23-21-14-12-10-8-6-4-2/h32H,3-31,37H2,1-2H3