2-[2-(4-aminophenyl)ethyl]-5-(2-tert-butyl-5-methyl-thiophen-3-yl)sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-5-(2-tert-butyl-5-methyl-thiophen-3-yl)sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(4-aminophenyl)ethyl]-5-[(2-tert-butyl-5-methyl-3-thienyl)sulfanyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(4-aminophenyl)ethyl]-5-[(2-tert-butyl-5-methyl-3-thiophenyl)thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-5-(2-tert-butyl-5-methylthiophen-3-yl)sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(4-aminophenyl)ethyl]-5-[(2-tert-butyl-5-methyl-3-thienyl)thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C25H33NO3S2 MolecularWeight: 459.66442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O

Isomeric SMILES

CC1=CC(=C(S1)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O

InChI

InChI=1S/C25H33NO3S2/c1-15(2)25(12-11-17-7-9-18(26)10-8-17)14-19(27)21(23(28)29-25)31-20-13-16(3)30-22(20)24(4,5)6/h7-10,13,15,28H,11-12,14,26H2,1-6H3