ethyl 2-(acetamidocarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(acetamidocarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(acetamidocarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(acetylhydrazo)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetamidocarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(acetamidothiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C

InChI

InChI=1S/C17H19N3O3S2/c1-4-23-16(22)14-13(12-8-6-5-7-9-12)10(2)25-15(14)18-17(24)20-19-11(3)21/h5-9H,4H2,1-3H3,(H,19,21)(H2,18,20,24)