ethyl 5-benzamido-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-benzamido-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-benzamido-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-benzamido-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzamido-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-benzamido-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-3-21-16(20)13-10(2)12(22-9-17)15(23-13)18-14(19)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,19)