ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-methylsulfanylphenyl)amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-methylsulfanylanilino)-3,4-dioxo-cyclobuten-1-yl]piperidine-4-carboxylate CAS Name: 1-[2-[3-(methylthio)anilino]-3,4-dioxo-1-cyclobutenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylsulfanylanilino)-3,4-dioxocyclobuten-1-yl]piperidine-4-carboxylate Traditional Name: 1-[3,4-diketo-2-[3-(methylthio)anilino]cyclobuten-1-yl]isonipecotic acid ethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=O)C2=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C19H22N2O4S/c1-3-25-19(24)12-7-9-21(10-8-12)16-15(17(22)18(16)23)20-13-5-4-6-14(11-13)26-2/h4-6,11-12,20H,3,7-10H2,1-2H3