[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C24H31N5O7S MolecularWeight: 533.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC(=O)NC4=NOC(=C4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OCC(=O)NC4=NOC(=C4)C

InChI

InChI=1S/C24H31N5O7S/c1-3-4-9-29-20-6-5-18(37(32,33)28-10-12-34-13-11-28)15-19(20)25-22(29)7-8-24(31)35-16-23(30)26-21-14-17(2)36-27-21/h5-6,14-15H,3-4,7-13,16H2,1-2H3,(H,26,27,30)