ethyl 4-[5-[(3-fluorophenyl)carbonylamino]-3-methyl-thiophen-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(3-fluorophenyl)carbonylamino]-3-methyl-thiophen-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(3-fluorobenzoyl)amino]-3-methyl-thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[[(3-fluorophenyl)-oxomethyl]amino]-3-methyl-2-thiophenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(3-fluorobenzoyl)amino]-3-methyl-thiophene-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(S2)NC(=O)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=C(S2)NC(=O)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H22FN3O4S/c1-3-28-20(27)24-9-7-23(8-10-24)19(26)17-13(2)11-16(29-17)22-18(25)14-5-4-6-15(21)12-14/h4-6,11-12H,3,7-10H2,1-2H3,(H,22,25)