methyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC)Br)OC

InChI

InChI=1S/C20H20BrNO5S/c1-25-14-10-11(9-13(21)18(14)26-2)7-8-16(23)22-19-17(20(24)27-3)12-5-4-6-15(12)28-19/h7-10H,4-6H2,1-3H3,(H,22,23)