5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-oxidanyl-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-hydroxy-2-phenethyl-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-hydroxy-2-isopropyl-2-phenethyl-3H-pyran-4-one Formula: C27H32N2O3S2 MolecularWeight: 496.68458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3S2/c1-16(2)27(12-11-17-9-7-6-8-10-17)15-20(30)23(24(31)32-27)33-21-14-22-19(29-25(28)34-22)13-18(21)26(3,4)5/h6-10,13-14,16,31H,11-12,15H2,1-5H3,(H2,28,29)