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

Systemtic Name: 7-[(1R)-2-[2-[3-[[2-(2-hydroxyphenyl)ethylamino]methyl]phenyl]ethylamino]-1-oxidanyl-ethyl]-4-oxidanyl-3H-1,3-benzothiazol-2-one Openeye Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-hydroxyphenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-hydroxyphenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-hydroxyphenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[2-(2-hydroxyphenyl)ethylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCNCC2=CC=CC(=C2)CCNCC(C3=C4C(=C(C=C3)O)NC(=O)S4)O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCNCC2=CC=CC(=C2)CCNC[C@@H](C3=C4C(=C(C=C3)O)NC(=O)S4)O)O

InChI

InChI=1S/C26H29N3O4S/c30-21-7-2-1-6-19(21)11-13-27-15-18-5-3-4-17(14-18)10-12-28-16-23(32)20-8-9-22(31)24-25(20)34-26(33)29-24/h1-9,14,23,27-28,30-32H,10-13,15-16H2,(H,29,33)/t23-/m0/s1