dimethyl 3-methyl-5-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2-benzylsulfanylacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-benzylsulfanylacetyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(benzylthio)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H19NO5S2/c1-11-14(17(21)23-2)16(26-15(11)18(22)24-3)19-13(20)10-25-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20)