methyl 5-methyl-2-(pentanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(pentanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(pentanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-(1-oxopentylamino)-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(pentanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(valerylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H21NO3S/c1-4-5-11-14(20)19-17-16(18(21)22-3)15(12(2)23-17)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,19,20)