ethyl 2-(2-methoxyethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methoxyethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(2-methoxyethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2-methoxyethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-methoxyethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCOC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCOC

InChI

InChI=1S/C18H22N2O3S2/c1-3-23-17(21)15-12-14(11-13-7-5-4-6-8-13)25-16(15)20-18(24)19-9-10-22-2/h4-8,12H,3,9-11H2,1-2H3,(H2,19,20,24)