[(7S)-7-tert-butyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium

Systemtic Name: [(7S)-7-tert-butyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium Openeye Name: [(7S)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: [(7S)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [(7S)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: [(7S)-7-tert-butyl-4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C[NH2+]CCC4=CC=C(C=C4)O

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C[NH2+]CCC4=CC=C(C=C4)O

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)15-6-9-17-18(12-15)29-22-20(17)21(28)25-19(26-22)13-24-11-10-14-4-7-16(27)8-5-14/h4-5,7-8,15,24,27H,6,9-13H2,1-3H3,(H,25,26,28)/p+1/t15-/m0/s1