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

Systemtic Name: ethyl 4-ethanoyl-5-methyl-2-(2-naphthalen-2-ylsulfanylethanoylamino)furan-3-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-2-[[2-(2-naphthylsulfanyl)acetyl]amino]furan-3-carboxylate CAS Name: 4-acetyl-5-methyl-2-[[2-(2-naphthalenylthio)-1-oxoethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-2-[(2-naphthalen-2-ylsulfanylacetyl)amino]furan-3-carboxylate Traditional Name: 4-acetyl-5-methyl-2-[[2-(2-naphthylthio)acetyl]amino]furan-3-carboxylic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-4-27-22(26)20-19(13(2)24)14(3)28-21(20)23-18(25)12-29-17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,4,12H2,1-3H3,(H,23,25)