ethyl 2-[[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]carbonylamino]-5-(1-phenylethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[(4-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-oxomethyl]amino]-5-(1-phenylethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylate Traditional Name: 2-[[3-[(4-bromophenoxy)methyl]-4-methoxy-benzoyl]amino]-5-(1-phenylethyl)thiophene-3-carboxylic acid ethyl ester Formula: C30H28BrNO5S MolecularWeight: 594.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C30H28BrNO5S/c1-4-36-30(34)25-17-27(19(2)20-8-6-5-7-9-20)38-29(25)32-28(33)21-10-15-26(35-3)22(16-21)18-37-24-13-11-23(31)12-14-24/h5-17,19H,4,18H2,1-3H3,(H,32,33)