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

Systemtic Name: ethyl 2-[3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acryloyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H26BrNO5S MolecularWeight: 556.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H26BrNO5S/c1-3-33-27(31)24-19-10-7-11-22(19)35-26(24)29-23(30)13-12-18-14-20(28)25(21(15-18)32-2)34-16-17-8-5-4-6-9-17/h4-6,8-9,12-15H,3,7,10-11,16H2,1-2H3,(H,29,30)