ethyl 2-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S,6S)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2S,6S)-2,6-dimethyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S,6S)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S,6S)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3C(CCCC3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3[C@H](CCC[C@@H]3C)C

InChI

InChI=1S/C21H26N2O2S2/c1-4-25-20(24)17-13-18(16-11-6-5-7-12-16)27-19(17)22-21(26)23-14(2)9-8-10-15(23)3/h5-7,11-15H,4,8-10H2,1-3H3,(H,22,26)/t14-,15-/m0/s1