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

Systemtic Name: ethyl 4-cyano-3-methyl-5-(2-naphthalen-2-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(2-naphthylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(2-naphthalen-2-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(2-naphthylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC3=CC=CC=C3C=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC3=CC=CC=C3C=C2)C#N)C

InChI

InChI=1S/C21H18N2O3S2/c1-3-26-21(25)19-13(2)17(11-22)20(28-19)23-18(24)12-27-16-9-8-14-6-4-5-7-15(14)10-16/h4-10H,3,12H2,1-2H3,(H,23,24)