ethyl 3-methyl-5-[(4-methylsulfanylphenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[(4-methylsulfanylphenyl)carbonylamino]-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(4-methylsulfanylbenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[4-(methylthio)phenyl]-oxomethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(4-methylsulfanylbenzoyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[[4-(methylthio)benzoyl]amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S3/c1-4-22-17(21)14-10(2)13(24-9-18)16(25-14)19-15(20)11-5-7-12(23-3)8-6-11/h5-8H,4H2,1-3H3,(H,19,20)