ethyl 4-(2-methylpropyl)-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO3S2/c1-4-24-20(23)18-16(10-14(2)3)12-26-19(18)21-17(22)13-25-11-15-8-6-5-7-9-15/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,21,22)