4-[(3E)-3-(6-methoxy-1H-quinolin-4-ylidene)-3-nitroso-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid

Systemtic Name: 4-[(3E)-3-(6-methoxy-1H-quinolin-4-ylidene)-3-nitroso-propyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Openeye Name: 4-[(3E)-3-(6-methoxy-1H-quinolin-4-ylidene)-3-nitroso-propyl]-1-[2-(2-thienylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 4-[(3E)-3-(6-methoxy-1H-quinolin-4-ylidene)-3-nitrosopropyl]-1-[2-(thiophen-2-ylthio)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[(3E)-3-(6-methoxy-1H-quinolin-4-ylidene)-3-nitrosopropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid Traditional Name: 4-[(3E)-3-(6-methoxy-1H-quinolin-4-ylidene)-3-nitroso-propyl]-1-[2-(2-thienylthio)ethyl]nipecotic acid Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=CC2=C(CCC3CCN(CC3C(=O)O)CCSC4=CC=CS4)N=O

Isomeric SMILES

COC1=CC\2=C(C=C1)NC=C/C2=C(/CCC3CCN(CC3C(=O)O)CCSC4=CC=CS4)\N=O

InChI

InChI=1S/C25H29N3O4S2/c1-32-18-5-7-22-20(15-18)19(8-10-26-22)23(27-31)6-4-17-9-11-28(16-21(17)25(29)30)12-14-34-24-3-2-13-33-24/h2-3,5,7-8,10,13,15,17,21,26H,4,6,9,11-12,14,16H2,1H3,(H,29,30)/b23-19+