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

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-hydroxy-2-propan-2-yl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-6-hydroxy-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C25H30N2O3S3 MolecularWeight: 502.7123

Click to see the large picture

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=CSC=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=CSC=C4

InChI

InChI=1S/C25H30N2O3S3/c1-14(2)25(8-6-15-7-9-31-13-15)12-18(28)21(22(29)30-25)32-19-11-20-17(27-23(26)33-20)10-16(19)24(3,4)5/h7,9-11,13-14,29H,6,8,12H2,1-5H3,(H2,26,27)