methyl 3-[4-[5-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]phenyl]benzoate

Systemtic Name: methyl 3-[4-[5-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]phenyl]benzoate Openeye Name: methyl 3-[4-[5-(2-morpholinoethylcarbamoyl)-3-thienyl]phenyl]benzoate CAS Name: 3-[4-[5-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-3-thiophenyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(2-morpholin-4-ylethylcarbamoyl)thiophen-3-yl]phenyl]benzoate Traditional Name: 3-[4-[5-(2-morpholinoethylcarbamoyl)-3-thienyl]phenyl]benzoic acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3=CSC(=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3=CSC(=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C25H26N2O4S/c1-30-25(29)21-4-2-3-20(15-21)18-5-7-19(8-6-18)22-16-23(32-17-22)24(28)26-9-10-27-11-13-31-14-12-27/h2-8,15-17H,9-14H2,1H3,(H,26,28)