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

Systemtic Name: ethyl 2-[[(3R)-3-methylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3R)-3-methyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC[C@H](C3)C

InChI

InChI=1S/C20H24N2O2S2/c1-3-24-19(23)16-12-17(15-9-5-4-6-10-15)26-18(16)21-20(25)22-11-7-8-14(2)13-22/h4-6,9-10,12,14H,3,7-8,11,13H2,1-2H3,(H,21,25)/t14-/m1/s1