4-ethyl-5-methylsulfanyl-thiophene-2-carboxylate; N-(phenylmethyl)methanamide

Systemtic Name: 4-ethyl-5-methylsulfanyl-thiophene-2-carboxylate; N-(phenylmethyl)methanamide Openeye Name: N-benzylformamide; 4-ethyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-(methylthio)-2-thiophenecarboxylate; N-(phenylmethyl)formamide IUPAC Name: N-benzylformamide; 4-ethyl-5-methylsulfanylthiophene-2-carboxylate Traditional Name: N-benzylformamide; 4-ethyl-5-(methylthio)-2-thenoate Formula: C16H18NO3S2- MolecularWeight: 336.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)[O-])SC.C1=CC=C(C=C1)CNC=O

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)[O-])SC.C1=CC=C(C=C1)CNC=O

InChI

InChI=1S/C8H9NO.C8H10O2S2/c10-7-9-6-8-4-2-1-3-5-8;1-3-5-4-6(7(9)10)12-8(5)11-2/h1-5,7H,6H2,(H,9,10);4H,3H2,1-2H3,(H,9,10)/p-1