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

Systemtic Name: ethyl 2-(ethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(ethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(ethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(ethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S2/c1-3-18-17(22)19-15-14(16(20)21-4-2)11-13(23-15)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,18,19,22)