ethyl 2-[[(2S)-2-ethylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-ethylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-ethylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2S)-2-ethyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-ethylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-ethylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1CCCCN1C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H26N2O2S2/c1-3-16-12-8-9-13-23(16)21(26)22-19-17(20(24)25-4-2)14-18(27-19)15-10-6-5-7-11-15/h5-7,10-11,14,16H,3-4,8-9,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1