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

Systemtic Name: methyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dimethylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[4-(2,3-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=C(C(=CC=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-13-7-4-9-16(14(13)2)26-12-6-11-18(23)22-20-19(21(24)25-3)15-8-5-10-17(15)27-20/h4,7,9H,5-6,8,10-12H2,1-3H3,(H,22,23)