methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(2,5-dimethylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(2,5-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-13-9-10-14(2)16(12-13)26-11-5-8-18(23)22-20-19(21(24)25-3)15-6-4-7-17(15)27-20/h9-10,12H,4-8,11H2,1-3H3,(H,22,23)