[4-(2-methoxyphenyl)-4-piperazin-1-yl-but-2-ynyl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [4-(2-methoxyphenyl)-4-piperazin-1-yl-but-2-ynyl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [4-(2-methoxyphenyl)-4-piperazin-1-yl-but-2-ynyl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [4-(2-methoxyphenyl)-4-(1-piperazinyl)but-2-ynyl] ester IUPAC Name: [4-(2-methoxyphenyl)-4-piperazin-1-ylbut-2-ynyl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [4-(2-methoxyphenyl)-4-piperazino-but-2-ynyl] ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#CCOC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)N4CCNCC4

Isomeric SMILES

COC1=CC=CC=C1C(C#CCOC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)N4CCNCC4

InChI

InChI=1S/C25H26N2O4S2/c1-30-21-9-3-2-7-19(21)20(27-14-12-26-13-15-27)8-4-16-31-24(28)25(29,22-10-5-17-32-22)23-11-6-18-33-23/h2-3,5-7,9-11,17-18,20,26,29H,12-16H2,1H3