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

Systemtic Name: methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S2/c1-3-24-15(21)11-19-18(25)20-16-14(17(22)23-2)10-13(26-16)9-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H2,19,20,25)