ethyl 5-ethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H21NO3S2/c1-3-14-10-15(18(21)22-4-2)17(24-14)19-16(20)12-23-11-13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H,19,20)