ethyl 4,5-dimethyl-2-(2-naphthalen-2-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(2-naphthalen-2-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(2-naphthylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(2-naphthalen-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(2-naphthylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S2/c1-4-25-21(24)19-13(2)14(3)27-20(19)22-18(23)12-26-17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,4,12H2,1-3H3,(H,22,23)