7-[2-[2-[4-(2-methylpropyl)phenyl]ethylamino]-1-oxidanyl-ethyl]-4-oxidanyl-3H-1,3-benzothiazol-2-one

Systemtic Name: 7-[2-[2-[4-(2-methylpropyl)phenyl]ethylamino]-1-oxidanyl-ethyl]-4-oxidanyl-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[1-hydroxy-2-[2-(4-isobutylphenyl)ethylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[1-hydroxy-2-[2-[4-(2-methylpropyl)phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[1-hydroxy-2-[2-[4-(2-methylpropyl)phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[1-hydroxy-2-[2-(4-isobutylphenyl)ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CCNCC(C2=C3C(=C(C=C2)O)NC(=O)S3)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CCNCC(C2=C3C(=C(C=C2)O)NC(=O)S3)O

InChI

InChI=1S/C21H26N2O3S/c1-13(2)11-15-5-3-14(4-6-15)9-10-22-12-18(25)16-7-8-17(24)19-20(16)27-21(26)23-19/h3-8,13,18,22,24-25H,9-12H2,1-2H3,(H,23,26)