ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-ethoxy-2-oxoethyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H22N2O4S2/c1-3-24-16(22)12-20-19(26)21-17-15(18(23)25-4-2)11-14(27-17)10-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3,(H2,20,21,26)