ethyl 2,5-dimethyl-4-(2-naphthalen-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(2-naphthalen-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(2-naphthylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(2-naphthalenylthio)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(2-naphthylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-4-25-21(24)20-14(3)22-13(2)19(20)18(23)12-26-17-10-9-15-7-5-6-8-16(15)11-17/h5-11,22H,4,12H2,1-3H3