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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-(2-naphthalen-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(2-naphthylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[(2-naphthalen-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(2-naphthylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21NO4S2/c1-4-27-22(26)19-13(2)20(14(3)24)29-21(19)23-18(25)12-28-17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,4,12H2,1-3H3,(H,23,25)