ethyl 4-cyano-3-methyl-5-(phenylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(phenylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(phenylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(phenylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(phenylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C16H15N3O2S2/c1-3-21-15(20)13-10(2)12(9-17)14(23-13)19-16(22)18-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H2,18,19,22)