2-methoxy-1-[4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidin-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidin-1-yl]ethanone Openeye Name: 2-methoxy-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-methoxy-1-[4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3,5-dithiophen-2-yl-1-pyrrolidinyl]ethanone IUPAC Name: 2-methoxy-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidin-1-yl]ethanone Traditional Name: 2-methoxy-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidino]ethanone Formula: C27H28N4O6S2 MolecularWeight: 568.66442

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C27H28N4O6S2/c1-37-16-21(32)30-24(20-5-3-15-39-20)23(26(33)17-6-8-18(9-7-17)31(35)36)22(19-4-2-14-38-19)25(30)27(34)29-12-10-28-11-13-29/h2-9,14-15,22-25,28H,10-13,16H2,1H3