ethyl 3-methyl-5-(2-phenylsulfanylethanoylamino)-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(2-phenylsulfanylethanoylamino)-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(phenylthio)ethyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(phenylthio)acetyl]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)CSC2=CC=CC=C2)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=CC=C2)SC#N)C

InChI

InChI=1S/C17H16N2O3S3/c1-3-22-17(21)15-11(2)14(24-10-18)16(25-15)19-13(20)9-23-12-7-5-4-6-8-12/h4-8H,3,9H2,1-2H3,(H,19,20)