1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]ethanone Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O6S2/c1-12-19(14(3)25)13(2)22-20(12)17(26)11-31-21-23-16-10-15(4-5-18(16)30-21)32(27,28)24-6-8-29-9-7-24/h4-5,10,22H,6-9,11H2,1-3H3