(2-phenyl-1,3-thiazol-4-yl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid (2-phenylthiazol-4-yl)methyl ester Formula: C28H32N4O5S2 MolecularWeight: 568.70748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O5S2/c1-2-3-13-32-25-10-9-23(39(34,35)31-14-16-36-17-15-31)18-24(25)30-26(32)11-12-27(33)37-19-22-20-38-28(29-22)21-7-5-4-6-8-21/h4-10,18,20H,2-3,11-17,19H2,1H3