ethyl 2-[[(2R)-2-methylpiperidin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2R)-2-methylpiperidin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(2R)-2-methylpiperidine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[(2R)-2-methyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(2R)-2-methylpiperidine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(2R)-2-methylpiperidine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC[C@H]3C

InChI

InChI=1S/C21H26N2O2S2/c1-3-25-20(24)18-14-17(13-16-10-5-4-6-11-16)27-19(18)22-21(26)23-12-8-7-9-15(23)2/h4-6,10-11,14-15H,3,7-9,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1