5-[[7-tert-butyl-2-(dimethylamino)-4-methyl-1,3-benzothiazol-6-yl]sulfanyl]-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one

Systemtic Name: 5-[[7-tert-butyl-2-(dimethylamino)-4-methyl-1,3-benzothiazol-6-yl]sulfanyl]-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-[[7-tert-butyl-2-(dimethylamino)-4-methyl-1,3-benzothiazol-6-yl]sulfanyl]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[7-tert-butyl-2-(dimethylamino)-4-methyl-1,3-benzothiazol-6-yl]thio]-6-hydroxy-2-propan-2-yl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[[7-tert-butyl-2-(dimethylamino)-4-methyl-1,3-benzothiazol-6-yl]sulfanyl]-6-hydroxy-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 5-[[7-tert-butyl-2-(dimethylamino)-4-methyl-1,3-benzothiazol-6-yl]thio]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C28H36N2O3S3 MolecularWeight: 544.79204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N=C(S2)N(C)C)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CSC=C4)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1N=C(S2)N(C)C)C(C)(C)C)SC3=C(OC(CC3=O)(CCC4=CSC=C4)C(C)C)O

InChI

InChI=1S/C28H36N2O3S3/c1-16(2)28(11-9-18-10-12-34-15-18)14-19(31)23(25(32)33-28)35-20-13-17(3)22-24(21(20)27(4,5)6)36-26(29-22)30(7)8/h10,12-13,15-16,32H,9,11,14H2,1-8H3