methyl 3-[2-[(2R)-1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2R)-1-(4-fluorophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-piperazin-2-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(2R)-1-[(4-fluorophenyl)-oxomethyl]-3-oxo-2-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(2R)-1-(4-fluorobenzoyl)-3-keto-piperazin-2-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H18FN3O5S MolecularWeight: 419.426723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O5S/c1-28-19(27)16-13(6-9-29-16)22-15(24)10-14-17(25)21-7-8-23(14)18(26)11-2-4-12(20)5-3-11/h2-6,9,14H,7-8,10H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1