ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(p-tolylsulfanyl)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylphenyl)sulfanylbutanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(p-tolylthio)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO3S2/c1-3-25-21(24)19-16-6-4-7-17(16)27-20(19)22-18(23)8-5-13-26-15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,22,23)