methyl 2-(butanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(butanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(butanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-butyramido-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-4-6-15(20)19-17-16(18(21)22-3)14(11-23-17)13-9-7-12(5-2)8-10-13/h7-11H,4-6H2,1-3H3,(H,19,20)