ethyl 4-(4-fluorophenyl)-2-[2-(3-methylbutylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[2-(3-methylbutylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[[2-(isopentylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-(3-methylbutylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[[2-(3-methylbutylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(isoamylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNCCC(C)C

InChI

InChI=1S/C20H25FN2O3S/c1-4-26-20(25)18-16(14-5-7-15(21)8-6-14)12-27-19(18)23-17(24)11-22-10-9-13(2)3/h5-8,12-13,22H,4,9-11H2,1-3H3,(H,23,24)