ethyl 2-azanyl-5-(methylcarbamoyl)-4-(2-phenylsulfanylethanoyloxymethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-(2-phenylsulfanylethanoyloxymethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2-phenylsulfanylacetyl)oxymethyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[1-oxo-2-(phenylthio)ethoxy]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2-phenylsulfanylacetyl)oxymethyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[2-(phenylthio)acetyl]oxymethyl]thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)CSC2=CC=CC=C2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)CSC2=CC=CC=C2)C(=O)NC)N

InChI

InChI=1S/C18H20N2O5S2/c1-3-24-18(23)14-12(15(17(22)20-2)27-16(14)19)9-25-13(21)10-26-11-7-5-4-6-8-11/h4-8H,3,9-10,19H2,1-2H3,(H,20,22)