dimethyl 2-[4-(3-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-(3-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: dimethyl 2-[4-(3-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: 2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(3-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: 2-[4-(3-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid dimethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H25NO6S/c1-13-6-4-7-14(12-13)29-11-5-8-17(24)23-20-19(22(26)28-3)18-15(21(25)27-2)9-10-16(18)30-20/h4,6-7,12,15H,5,8-11H2,1-3H3,(H,23,24)