methyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C20H22BrNO4S/c1-11(2)14-9-12(21)7-8-15(14)26-10-17(23)22-19-18(20(24)25-3)13-5-4-6-16(13)27-19/h7-9,11H,4-6,10H2,1-3H3,(H,22,23)