(1-methoxy-1-oxidanylidene-butan-2-yl) 4-(hexadecylamino)thiophene-2-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-butan-2-yl) 4-(hexadecylamino)thiophene-2-carboxylate Openeye Name: 1-methoxycarbonylpropyl 4-(hexadecylamino)thiophene-2-carboxylate CAS Name: 4-(hexadecylamino)-2-thiophenecarboxylic acid (1-methoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-methoxy-1-oxobutan-2-yl) 4-(hexadecylamino)thiophene-2-carboxylate Traditional Name: 4-(cetylamino)thiophene-2-carboxylic acid 1-carbomethoxypropyl ester Formula: C26H45NO4S MolecularWeight: 467.7048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC(CC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC(CC)C(=O)OC

InChI

InChI=1S/C26H45NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-22-20-24(32-21-22)26(29)31-23(5-2)25(28)30-3/h20-21,23,27H,4-19H2,1-3H3