[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O5S/c1-28-17-6-4-16(5-7-17)23-10-12-24(13-11-23)19(25)15-29-20(26)8-9-22-21(27)18-3-2-14-30-18/h2-7,14H,8-13,15H2,1H3,(H,22,27)