methyl 2-(hexanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(hexanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(hexanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-(1-oxohexylamino)-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(hexanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(caproylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H21NO3S/c1-3-4-6-11-15(20)19-17-16(18(21)22-2)14(12-23-17)13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,19,20)