ethyl 5-bromanyl-2-[2-[(diphenylmethyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[2-[(diphenylmethyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzhydrylamino)acetyl]amino]-5-bromo-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[(diphenylmethyl)amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzhydrylamino)acetyl]amino]-5-bromo-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzhydrylamino)acetyl]amino]-5-bromo-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H25BrN2O3S MolecularWeight: 549.4787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CNC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CNC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25BrN2O3S/c1-2-34-28(33)24-23(19-12-6-3-7-13-19)26(29)35-27(24)31-22(32)18-30-25(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,25,30H,2,18H2,1H3,(H,31,32)